(2S,3S)-N-(3-tert-butylphenyl)-2-cyclohexyl-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2S,3S)-N-(3-tert-butylphenyl)-2-cyclopentyl-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-N-(3-tert-butylphenyl)-1-(2-fluoro-6-methoxybenzoyl)-2-phenylpiperidine-3-carboxamide;(2R,3S)-1-(2-chlorobenzoyl)-2-[4-(cyclopentylamino)phenyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide

C121H142ClF6N9O9 — CID 162002086

IUPAC(2S,3S)-N-(3-tert-butylphenyl)-2-cyclohexyl-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2S,3S)-N-(3-tert-butylphenyl)-2-cyclopentyl-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-N-(3-tert-butylphenyl)-1-(2-fluoro-6-methoxybenzoyl)-2-phenylpiperidine-3-carboxamide;(2R,3S)-1-(2-chlorobenzoyl)-2-[4-(cyclopentylamino)phenyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
SMILESCOc1cccc(F)c1C(=O)N1CCC[C@H](C(=O)Nc2cccc(C(C)(C)C)c2)C1c1ccccc1.Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3ccccc3Cl)C2c2ccc(NC3CCCC3)cc2)cc1C(F)(F)F.Cc1cccc(F)c1C(=O)N1CCC[C@H](C(=O)Nc2cccc(C(C)(C)C)c2)[C@@H]1C1CCCC1.Cc1cccc(F)c1C(=O)N1CCC[C@H](C(=O)Nc2cccc(C(C)(C)C)c2)[C@@H]1C1CCCCC1
InChIInChI=1S/C32H33ClF3N3O2.C30H33FN2O3.C30H39FN2O2.C29H37FN2O2/c1-20-12-15-24(19-27(20)32(34,35)36)38-30(40)26-10-6-18-39(31(41)25-9-4-5-11-28(25)33)29(26)21-13-16-23(17-14-21)37-22-7-2-3-8-22;1-30(2,3)21-13-8-14-22(19-21)32-28(34)23-15-10-18-33(27(23)20-11-6-5-7-12-20)29(35)26-24(31)16-9-17-25(26)36-4;1-20-11-8-17-25(31)26(20)29(35)33-18-10-16-24(27(33)21-12-6-5-7-13-21)28(34)32-23-15-9-14-22(19-23)30(2,3)4;1-19-10-7-16-24(30)25(19)28(34)32-17-9-15-23(26(32)20-11-5-6-12-20)27(33)31-22-14-8-13-21(18-22)29(2,3)4/h4-5,9,11-17,19,22,26,29,37H,2-3,6-8,10,18H2,1H3,(H,38,40);5-9,11-14,16-17,19,23,27H,10,15,18H2,1-4H3,(H,32,34);8-9,11,14-15,17,19,21,24,27H,5-7,10,12-13,16,18H2,1-4H3,(H,32,34);7-8,10,13-14,16,18,20,23,26H,5-6,9,11-12,15,17H2,1-4H3,(H,31,33)/t26-,29?;23-,27?;24-,27-;23-,26-/m0000/s1
InChIKeyYSIRSUCHQWAXNN-KHPKVIGZSA-N
MW2015.96 g/mol
LogP27.97
Rot. Bonds19

About (2S,3S)-N-(3-tert-butylphenyl)-2-cyclohexyl-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2S,3S)-N-(3-tert-butylphenyl)-2-cyclopentyl-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-N-(3-tert-butylphenyl)-1-(2-fluoro-6-methoxybenzoyl)-2-phenylpiperidine-3-carboxamide;(2R,3S)-1-(2-chlorobenzoyl)-2-[4-(cyclopentylamino)phenyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide

(2S,3S)-N-(3-tert-butylphenyl)-2-cyclohexyl-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2S,3S)-N-(3-tert-butylphenyl)-2-cyclopentyl-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-N-(3-tert-butylphenyl)-1-(2-fluoro-6-methoxybenzoyl)-2-phenylpiperidine-3-carboxamide;(2R,3S)-1-(2-chlorobenzoyl)-2-[4-(cyclopentylamino)phenyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide (PubChem CID 162002086) has the molecular formula C121H142ClF6N9O9 and a molecular weight of 2015.96 g/mol. Its IUPAC name is (2S,3S)-N-(3-tert-butylphenyl)-2-cyclohexyl-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2S,3S)-N-(3-tert-butylphenyl)-2-cyclopentyl-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-N-(3-tert-butylphenyl)-1-(2-fluoro-6-methoxybenzoyl)-2-phenylpiperidine-3-carboxamide;(2R,3S)-1-(2-chlorobenzoyl)-2-[4-(cyclopentylamino)phenyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-N-(3-tert-butylphenyl)-2-cyclohexyl-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2S,3S)-N-(3-tert-butylphenyl)-2-cyclopentyl-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-N-(3-tert-butylphenyl)-1-(2-fluoro-6-methoxybenzoyl)-2-phenylpiperidine-3-carboxamide;(2R,3S)-1-(2-chlorobenzoyl)-2-[4-(cyclopentylamino)phenyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
PubChem CID162002086
Molecular FormulaC121H142ClF6N9O9
Molecular Weight2015.96 g/mol
Exact Mass2014.05
IUPAC Name(2S,3S)-N-(3-tert-butylphenyl)-2-cyclohexyl-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2S,3S)-N-(3-tert-butylphenyl)-2-cyclopentyl-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-N-(3-tert-butylphenyl)-1-(2-fluoro-6-methoxybenzoyl)-2-phenylpiperidine-3-carboxamide;(2R,3S)-1-(2-chlorobenzoyl)-2-[4-(cyclopentylamino)phenyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
SMILESCOc1cccc(F)c1C(=O)N1CCC[C@H](C(=O)Nc2cccc(C(C)(C)C)c2)C1c1ccccc1.Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3ccccc3Cl)C2c2ccc(NC3CCCC3)cc2)cc1C(F)(F)F.Cc1cccc(F)c1C(=O)N1CCC[C@H](C(=O)Nc2cccc(C(C)(C)C)c2)[C@@H]1C1CCCC1.Cc1cccc(F)c1C(=O)N1CCC[C@H](C(=O)Nc2cccc(C(C)(C)C)c2)[C@@H]1C1CCCCC1
InChIInChI=1S/C32H33ClF3N3O2.C30H33FN2O3.C30H39FN2O2.C29H37FN2O2/c1-20-12-15-24(19-27(20)32(34,35)36)38-30(40)26-10-6-18-39(31(41)25-9-4-5-11-28(25)33)29(26)21-13-16-23(17-14-21)37-22-7-2-3-8-22;1-30(2,3)21-13-8-14-22(19-21)32-28(34)23-15-10-18-33(27(23)20-11-6-5-7-12-20)29(35)26-24(31)16-9-17-25(26)36-4;1-20-11-8-17-25(31)26(20)29(35)33-18-10-16-24(27(33)21-12-6-5-7-13-21)28(34)32-23-15-9-14-22(19-23)30(2,3)4;1-19-10-7-16-24(30)25(19)28(34)32-17-9-15-23(26(32)20-11-5-6-12-20)27(33)31-22-14-8-13-21(18-22)29(2,3)4/h4-5,9,11-17,19,22,26,29,37H,2-3,6-8,10,18H2,1H3,(H,38,40);5-9,11-14,16-17,19,23,27H,10,15,18H2,1-4H3,(H,32,34);8-9,11,14-15,17,19,21,24,27H,5-7,10,12-13,16,18H2,1-4H3,(H,32,34);7-8,10,13-14,16,18,20,23,26H,5-6,9,11-12,15,17H2,1-4H3,(H,31,33)/t26-,29?;23-,27?;24-,27-;23-,26-/m0000/s1
InChIKeyYSIRSUCHQWAXNN-KHPKVIGZSA-N
XLogP27.97
TPSA218.90 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds19
Heavy Atoms146
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002015.96
LogP ≤ 527.97
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze (2S,3S)-N-(3-tert-butylphenyl)-2-cyclohexyl-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2S,3S)-N-(3-tert-butylphenyl)-2-cyclopentyl-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-N-(3-tert-butylphenyl)-1-(2-fluoro-6-methoxybenzoyl)-2-phenylpiperidine-3-carboxamide;(2R,3S)-1-(2-chlorobenzoyl)-2-[4-(cyclopentylamino)phenyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide with MolForge

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Related Compounds

(2R,3S)-N-(3-chloro-4-methylphenyl)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(3-methyl-1H-inden-5-yl)piperidine-3-carboxamide;(2R,3S)-2-(4-cyclopentyloxyphenyl)-1-(2-fluoro-6-methylbenzoyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide;(2R,3S)-1-(2-fluoro-6-methylbenzoyl)-2-[4-[(2-methylcyclopentyl)amino]phenyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 157507731
N-[(4-benzamidophenyl)methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-4-pentylbenzamide;2-chloro-5-fluoro-N-[4-[[[1-(3-methylbutyl)piperidin-4-yl]-(4-pentylbenzoyl)amino]methyl]phenyl]benzamide;3-chloro-N-[4-[[[1-(3-methylbutyl)piperidin-4-yl]-(4-pentylbenzoyl)amino]methyl]phenyl]benzamide;2-ethoxy-N-[4-[[[1-(3-methylbutyl)piperidin-4-yl]-(4-pentylbenzoyl)amino]methyl]phenyl]benzamide;N-[1-(3-methylbutyl)piperidin-4-yl]-4-pentyl-N-[[4-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]methyl]benzamide;4-methyl-N-[4-[[[1-(3-methylbutyl)piperidin-4-yl]-(4-pentylbenzoyl)amino]methyl]phenyl]benzamide
CID 158647895
(2R,3S)-N-(3-tert-butylphenyl)-1-(2-methylbenzoyl)-2-[4-[[(2S)-2-methylpyrrolidin-1-yl]methyl]phenyl]piperidine-3-carboxamide;(2R,3S)-1-(2-chlorobenzoyl)-N-(3-chloro-4-methylphenyl)-2-[4-(cyclopentylamino)phenyl]piperidine-3-carboxamide;(2R,3S)-2-(4-cyclopentyloxyphenyl)-1-(2-fluoro-6-methylbenzoyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide;(2R,3S)-1-(2-fluoro-6-methylbenzoyl)-2-[4-[(2-methylcyclopentyl)amino]phenyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 158949244
(2S,3S)-N-(3-tert-butylphenyl)-2-cyclopropyl-1-(2-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-N-(3-tert-butylphenyl)-1-(2,6-dimethylbenzoyl)-2-(4-methoxyphenyl)piperidine-3-carboxamide;(2R,3S)-N-(3-tert-butylphenyl)-2-(4-methoxyphenyl)-1-(2-methylbenzoyl)piperidine-3-carboxamide;(2S,3S)-2-cyclohexyl-1-(2,6-difluorobenzoyl)-N-(2,3-dihydro-1H-inden-5-yl)piperidine-3-carboxamide;(2R,3S)-N-(2,3-dihydro-1H-inden-5-yl)-2-phenyl-1-[2-(trifluoromethyl)benzoyl]piperidine-3-carboxamide
CID 159353976
1-(2-Chloro-4-fluorophenyl)-2-[3-(cyclohexylmethyl)phenyl]ethanone;1-(2-chloro-4-fluorophenyl)-2-[3-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]ethanone;1-(2-chloro-6-fluorophenyl)-2-[3-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]ethanone;1-(2-chlorophenyl)-2-[3-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]ethanone;1-(2-chlorophenyl)-2-[3-[(1-methylpiperidin-4-yl)methyl]phenyl]ethanone;1-(2,6-difluorophenyl)-2-[3-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]ethanone;2-[3-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]-1-(2,4,6-trifluorophenyl)ethanone;2-[3-[(1-methylpiperidin-4-yl)methyl]phenyl]-1-[2-(trifluoromethoxy)phenyl]ethanone
CID 160151653
(2R)-N-(3-chloro-4-methylphenyl)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(3-methyl-1H-inden-5-yl)piperidine-3-carboxamide;2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-3-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide;(2R)-2-(4-cyclopentyloxyphenyl)-1-(2-fluoro-6-methylbenzoyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide;(2R)-1-(2-fluoro-6-methylbenzoyl)-2-[4-[(2-methylcyclopentyl)amino]phenyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 160911024
(2R,3S,5R)-N-(3-chloro-4-methylphenyl)-2-[4-(cyclopentylamino)phenyl]-1-(2,6-difluorobenzoyl)-5-methylpiperidine-3-carboxamide;(2R,3S,5R)-2-[4-(cyclohexylamino)phenyl]-1-(2,6-difluorobenzoyl)-5-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide;(2R,3S,5R)-2-[4-(cyclopentylamino)phenyl]-1-(2,6-difluorobenzoyl)-N-[4-(hydroxymethyl)-3-(trifluoromethyl)phenyl]-5-methylpiperidine-3-carboxamide;(2R,3S,5R)-2-[4-(cyclopentylamino)phenyl]-1-(2,6-difluorobenzoyl)-N-[4-hydroxy-3-(trifluoromethyl)phenyl]-5-methylpiperidine-3-carboxamide
CID 161713165
1-(2-Chloro-4-fluorophenyl)-2-[3-[cyclohexyl(methyl)amino]phenyl]ethanone;1-(2-chloro-4-fluorophenyl)-2-[3-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]ethanone;1-(2-chloro-6-fluorophenyl)-2-[3-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]ethanone;1-(2-chlorophenyl)-2-[3-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]ethanone;1-(2-chlorophenyl)-2-[3-[(1-methylpiperidin-4-yl)methyl]phenyl]ethanone;1-(2,6-difluorophenyl)-2-[3-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]ethanone;2-[3-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]-1-(2,4,6-trifluorophenyl)ethanone;2-[3-[(1-methylpiperidin-4-yl)methyl]phenyl]-1-[2-(trifluoromethoxy)phenyl]ethanone
CID 161970698
3-[4-[1-[1-[[2-Chloro-6-methoxy-4-(2-methyl-1-oxoisoquinolin-4-yl)phenyl]methyl]piperidin-4-yl]piperidin-4-yl]-3-fluoroanilino]piperidine-2,6-dione;3-[3-fluoro-4-[1-[1-[[2-fluoro-6-methoxy-4-(2-methyl-1-oxoisoquinolin-4-yl)phenyl]methyl]piperidin-4-yl]piperidin-4-yl]anilino]piperidine-2,6-dione;3-[3-fluoro-4-[1-[2-[1-[[4-(2-methyl-1-oxoisoquinolin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]ethyl]piperidin-4-yl]anilino]piperidine-2,6-dione
CID 164967116
3-[4-[1-[1-[[2-Chloro-4-(6-fluoro-2-methyl-1-oxoisoquinolin-4-yl)-6-methoxyphenyl]methyl]piperidin-4-yl]piperidin-4-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione;3-[4-[1-[1-[[4-(2,6-dimethyl-1-oxoisoquinolin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperidin-4-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione
CID 164981901
3-[4-[1-[2-[1-[[2-Chloro-4-(6-fluoro-2-methyl-1-oxoisoquinolin-4-yl)-6-methoxyphenyl]methyl]piperidin-4-yl]ethyl]piperidin-4-yl]anilino]piperidine-2,6-dione;3-[4-[1-[2-[1-[[2-fluoro-4-(6-fluoro-2-methyl-1-oxoisoquinolin-4-yl)-6-methoxyphenyl]methyl]piperidin-4-yl]ethyl]piperidin-4-yl]anilino]piperidine-2,6-dione;3-[4-[1-[1-[[2-fluoro-4-(6-fluoro-2-methyl-1-oxoisoquinolin-4-yl)-6-methoxyphenyl]methyl]piperidin-4-yl]piperidin-4-yl]anilino]piperidine-2,6-dione;3-[4-[1-[2-[1-[[4-(6-fluoro-2-methyl-1-oxoisoquinolin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]ethyl]piperidin-4-yl]anilino]piperidine-2,6-dione
CID 165014682
3-[4-[1-[2-[1-[[2-Chloro-4-(6-fluoro-2-methyl-1-oxoisoquinolin-4-yl)-6-methoxyphenyl]methyl]piperidin-4-yl]ethyl]piperidin-4-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione;3-[4-[1-[2-[1-[[2-fluoro-4-(6-fluoro-2-methyl-1-oxoisoquinolin-4-yl)-6-methoxyphenyl]methyl]piperidin-4-yl]ethyl]piperidin-4-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione;3-[4-[1-[1-[[2-fluoro-4-(6-fluoro-2-methyl-1-oxoisoquinolin-4-yl)-6-methoxyphenyl]methyl]piperidin-4-yl]piperidin-4-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione;3-[4-[1-[2-[1-[[4-(6-fluoro-2-methyl-1-oxoisoquinolin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]ethyl]piperidin-4-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione
CID 165048544

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-(3-tert-butylphenyl)-2-cyclohexyl-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2S,3S)-N-(3-tert-butylphenyl)-2-cyclopentyl-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-N-(3-tert-butylphenyl)-1-(2-fluoro-6-methoxybenzoyl)-2-phenylpiperidine-3-carboxamide;(2R,3S)-1-(2-chlorobenzoyl)-2-[4-(cyclopentylamino)phenyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of (2S,3S)-N-(3-tert-butylphenyl)-2-cyclohexyl-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2S,3S)-N-(3-tert-butylphenyl)-2-cyclopentyl-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-N-(3-tert-butylphenyl)-1-(2-fluoro-6-methoxybenzoyl)-2-phenylpiperidine-3-carboxamide;(2R,3S)-1-(2-chlorobenzoyl)-2-[4-(cyclopentylamino)phenyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide (CID 162002086) is (2S,3S)-N-(3-tert-butylphenyl)-2-cyclohexyl-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2S,3S)-N-(3-tert-butylphenyl)-2-cyclopentyl-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-N-(3-tert-butylphenyl)-1-(2-fluoro-6-methoxybenzoyl)-2-phenylpiperidine-3-carboxamide;(2R,3S)-1-(2-chlorobenzoyl)-2-[4-(cyclopentylamino)phenyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for (2S,3S)-N-(3-tert-butylphenyl)-2-cyclohexyl-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2S,3S)-N-(3-tert-butylphenyl)-2-cyclopentyl-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-N-(3-tert-butylphenyl)-1-(2-fluoro-6-methoxybenzoyl)-2-phenylpiperidine-3-carboxamide;(2R,3S)-1-(2-chlorobenzoyl)-2-[4-(cyclopentylamino)phenyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for (2S,3S)-N-(3-tert-butylphenyl)-2-cyclohexyl-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2S,3S)-N-(3-tert-butylphenyl)-2-cyclopentyl-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-N-(3-tert-butylphenyl)-1-(2-fluoro-6-methoxybenzoyl)-2-phenylpiperidine-3-carboxamide;(2R,3S)-1-(2-chlorobenzoyl)-2-[4-(cyclopentylamino)phenyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide is COc1cccc(F)c1C(=O)N1CCC[C@H](C(=O)Nc2cccc(C(C)(C)C)c2)C1c1ccccc1.Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3ccccc3Cl)C2c2ccc(NC3CCCC3)cc2)cc1C(F)(F)F.Cc1cccc(F)c1C(=O)N1CCC[C@H](C(=O)Nc2cccc(C(C)(C)C)c2)[C@@H]1C1CCCC1.Cc1cccc(F)c1C(=O)N1CCC[C@H](C(=O)Nc2cccc(C(C)(C)C)c2)[C@@H]1C1CCCCC1.
What is the InChIKey of (2S,3S)-N-(3-tert-butylphenyl)-2-cyclohexyl-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2S,3S)-N-(3-tert-butylphenyl)-2-cyclopentyl-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-N-(3-tert-butylphenyl)-1-(2-fluoro-6-methoxybenzoyl)-2-phenylpiperidine-3-carboxamide;(2R,3S)-1-(2-chlorobenzoyl)-2-[4-(cyclopentylamino)phenyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The InChIKey is YSIRSUCHQWAXNN-KHPKVIGZSA-N. The full InChI is InChI=1S/C32H33ClF3N3O2.C30H33FN2O3.C30H39FN2O2.C29H37FN2O2/c1-20-12-15-24(19-27(20)32(34,35)36)38-30(40)26-10-6-18-39(31(41)25-9-4-5-11-28(25)33)29(26)21-13-16-23(17-14-21)37-22-7-2-3-8-22;1-30(2,3)21-13-8-14-22(19-21)32-28(34)23-15-10-18-33(27(23)20-11-6-5-7-12-20)29(35)26-24(31)16-9-17-25(26)36-4;1-20-11-8-17-25(31)26(20)29(35)33-18-10-16-24(27(33)21-12-6-5-7-13-21)28(34)32-23-15-9-14-22(19-23)30(2,3)4;1-19-10-7-16-24(30)25(19)28(34)32-17-9-15-23(26(32)20-11-5-6-12-20)27(33)31-22-14-8-13-21(18-22)29(2,3)4/h4-5,9,11-17,19,22,26,29,37H,2-3,6-8,10,18H2,1H3,(H,38,40);5-9,11-14,16-17,19,23,27H,10,15,18H2,1-4H3,(H,32,34);8-9,11,14-15,17,19,21,24,27H,5-7,10,12-13,16,18H2,1-4H3,(H,32,34);7-8,10,13-14,16,18,20,23,26H,5-6,9,11-12,15,17H2,1-4H3,(H,31,33)/t26-,29?;23-,27?;24-,27-;23-,26-/m0000/s1.
What are the key properties of (2S,3S)-N-(3-tert-butylphenyl)-2-cyclohexyl-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2S,3S)-N-(3-tert-butylphenyl)-2-cyclopentyl-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-N-(3-tert-butylphenyl)-1-(2-fluoro-6-methoxybenzoyl)-2-phenylpiperidine-3-carboxamide;(2R,3S)-1-(2-chlorobenzoyl)-2-[4-(cyclopentylamino)phenyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
(2S,3S)-N-(3-tert-butylphenyl)-2-cyclohexyl-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2S,3S)-N-(3-tert-butylphenyl)-2-cyclopentyl-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-N-(3-tert-butylphenyl)-1-(2-fluoro-6-methoxybenzoyl)-2-phenylpiperidine-3-carboxamide;(2R,3S)-1-(2-chlorobenzoyl)-2-[4-(cyclopentylamino)phenyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide has a molecular weight of 2015.96 g/mol, XLogP of 27.97, 19 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-(3-tert-butylphenyl)-2-cyclohexyl-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2S,3S)-N-(3-tert-butylphenyl)-2-cyclopentyl-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-N-(3-tert-butylphenyl)-1-(2-fluoro-6-methoxybenzoyl)-2-phenylpiperidine-3-carboxamide;(2R,3S)-1-(2-chlorobenzoyl)-2-[4-(cyclopentylamino)phenyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 162002086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).