[HTML][HTML] Study of a new piperidone as an anti-Alzheimer agent: Molecular docking, electronic and intermolecular interaction investigations by DFT method
A Ramalingam, S Sambandam, M Medimagh… - Journal of King Saud …, 2021 - Elsevier
In this work, experimental spectroscopic and theoretical methods as quantum chemical
calculation were performed for 3-chloro-r (2), c (6)-bis (4-fluorophenyl)-3-methylpiperidin-4 …
calculation were performed for 3-chloro-r (2), c (6)-bis (4-fluorophenyl)-3-methylpiperidin-4 …
Synthesis, crystal structure, DFT calculations and Hirshfeld surface analysis of 3-chloro-2, 6-bis (4-chlorophenyl)-3-methylpiperidin-4-one
Abstract The 3-chloro-2, 6-bis (4-chlorophenyl)-3-methylpiperidin-4-one (CCMP) compound
have been characterized by FT-IR, 1 H-NMR, 13 C-NMR, 1 H-1 H NOESY spectroscopy and …
have been characterized by FT-IR, 1 H-NMR, 13 C-NMR, 1 H-1 H NOESY spectroscopy and …
Synthesis, spectroscopic, topological, hirshfeld surface analysis, and anti-covid-19 molecular docking investigation of isopropyl 1-benzoyl-4-(benzoyloxy)-2, 6 …
A Ramalingam, M Kuppusamy, S Sambandam… - Heliyon, 2022 - cell.com
Abstract Isopropyl 1-benzoyl-4-(benzoyloxy)-2, 6-diphenyl-1, 2, 5, 6-tetrahydropyridine-3-
carboxylate (IDPC) was synthesized and characterized via spectroscopic (FT-IR and NMR) …
carboxylate (IDPC) was synthesized and characterized via spectroscopic (FT-IR and NMR) …
Synthesis, vibrational spectra, DFT calculations, Hirshfeld surface analysis and molecular docking study of 3-chloro-3-methyl-2, 6-diphenylpiperidin-4-one
A newly synthesized molecular complex 3-chloro-3-methyl-2, 6-diphenylpiperidin-4-one
[CMDP] crystallizes in the triclinic space group P1. The piperidin-4-one ring exhibits a …
[CMDP] crystallizes in the triclinic space group P1. The piperidin-4-one ring exhibits a …
Synthesis, vibrational spectra, Hirshfeld surface analysis, DFT calculations, and in silico ADMET study of 3-(2-chloroethyl)-2, 6-bis (4-fluorophenyl) piperidin-4-one: a …
A Ramalingam, AR Guerroudj, S Sambandam… - Journal of Molecular …, 2022 - Elsevier
This study included experimental analysis, FT-Raman, FT-IR, UV-Vis and NMR with
theoretical investigations of 3-(2-chloroethyl)-2, 6-bis (p-fluorophenyl) piperidin-4-one …
theoretical investigations of 3-(2-chloroethyl)-2, 6-bis (p-fluorophenyl) piperidin-4-one …
Hirshfeld surface analysis, interaction energy calculation and spectroscopical study of 3-chloro-3-methyl-r (2), c (6)-bis (p-tolyl) piperidin-4-one using DFT approaches
R Arulraj - Journal of Molecular Structure, 2022 - Elsevier
The optimized molecular structure, vibrational frequencies, and related vibrational
assignments of 3‑chloro-3-methyl-r (2), c (6)-bis (p-tolyl) piperidine-4-one (CMTP) have …
assignments of 3‑chloro-3-methyl-r (2), c (6)-bis (p-tolyl) piperidine-4-one (CMTP) have …
Synthesis, molecular docking of 3-(2-chloroethyl)-2, 6-diphenylpiperidin-4-one: Hirshfeld surface, spectroscopic and DFT based analyses
A Kumar, S Sambandam, A Ramalingam… - Journal of Molecular …, 2022 - Elsevier
Abstract In this work, 3-(2-chloroethyl)-2, 6-diphenylpiperidin-4-one (CEDP) was
synthesized, characterized via spectroscopic techniques (FT-IR, FT-Raman, UV–Vis, 1 H …
synthesized, characterized via spectroscopic techniques (FT-IR, FT-Raman, UV–Vis, 1 H …
Conformation and vibrational spectroscopic analysis of 2, 6-bis (4-fluorophenyl)-3, 3-dimethylpiperidin-4-one (BFDP) by DFT method: A potent anti-Parkinson's, anti …
Abstract The potential of 2, 6-bis (4-fluorophenyl)-3, 3-dimethylpiperidin-4-one (BFDP) as an
anti-Parkinson's, anti-lung cancer, and anti-human infectious agent was extensively …
anti-Parkinson's, anti-lung cancer, and anti-human infectious agent was extensively …
Spectroscopic study, Hirshfeld surface, DFT, in-silico molecular docking and ADMET studies of 2, 6-bis (4-chlorophenyl)-3-isopropylpiperidin-4-one (BCIP): a potent …
A Ramalingam, S Sambandam, H Louis… - Journal of Molecular …, 2023 - Elsevier
In this present study, the possibility of using 2, 6-bis (4-chlorophenyl)-3-isopropylpiperidin-4-
one (BCIP) as an antiviral agent against HIV was carefully evaluated. In order to achieve …
one (BCIP) as an antiviral agent against HIV was carefully evaluated. In order to achieve …
Synthesis, Crystal Structure, DFT Calculations and Hirshfeld Surface Analysis of 3-Chloro-3-methyl-r(2),c(6)-bis(p-methoxyphenyl)piperidin-4-one
The title compound, C 20 H 22 ClNO 3,[common name: 3-chloro-3-methyl-r (2), c (6)-bis (p-
methoxyphenyl) piperidin-4-one] crystallizes in the P2 1/c space group with unit cell …
methoxyphenyl) piperidin-4-one] crystallizes in the P2 1/c space group with unit cell …