(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

C147H167F5N10O12 — CID 159353976

IUPAC(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
SMILESCOc1ccc(C2[C@@H](C(=O)Nc3cccc(C(C)(C)C)c3)CCCN2C(=O)c2c(C)cccc2C)cc1.COc1ccc([C@H]2[C@@H](C(=O)Nc3cccc(C(C)(C)C)c3)CCCN2C(=O)c2ccccc2C)cc1.Cc1ccccc1C(=O)N1CCC[C@H](C(=O)Nc2cccc(C(C)(C)C)c2)[C@@H]1C1CC1.O=C(Nc1ccc2c(c1)CCC2)[C@H]1CCCN(C(=O)c2c(F)cccc2F)[C@H]1C1CCCCC1.O=C(Nc1ccc2c(c1)CCC2)[C@H]1CCCN(C(=O)c2ccccc2C(F)(F)F)[C@H]1c1ccccc1
InChIInChI=1S/C32H38N2O3.C31H36N2O3.C29H27F3N2O2.C28H32F2N2O2.C27H34N2O2/c1-21-10-7-11-22(2)28(21)31(36)34-19-9-14-27(29(34)23-15-17-26(37-6)18-16-23)30(35)33-25-13-8-12-24(20-25)32(3,4)5;1-21-10-6-7-13-26(21)30(35)33-19-9-14-27(28(33)22-15-17-25(36-5)18-16-22)29(34)32-24-12-8-11-23(20-24)31(2,3)4;30-29(31,32)25-14-5-4-12-23(25)28(36)34-17-7-13-24(26(34)20-8-2-1-3-9-20)27(35)33-22-16-15-19-10-6-11-21(19)18-22;29-23-12-5-13-24(30)25(23)28(34)32-16-6-11-22(26(32)19-7-2-1-3-8-19)27(33)31-21-15-14-18-9-4-10-20(18)17-21;1-18-9-5-6-12-22(18)26(31)29-16-8-13-23(24(29)19-14-15-19)25(30)28-21-11-7-10-20(17-21)27(2,3)4/h7-8,10-13,15-18,20,27,29H,9,14,19H2,1-6H3,(H,33,35);6-8,10-13,15-18,20,27-28H,9,14,19H2,1-5H3,(H,32,34);1-5,8-9,12,14-16,18,24,26H,6-7,10-11,13,17H2,(H,33,35);5,12-15,17,19,22,26H,1-4,6-11,16H2,(H,31,33);5-7,9-12,17,19,23-24H,8,13-16H2,1-4H3,(H,28,30)/t27-,29?;27-,28-;24-,26-;22-,26-;23-,24-/m00000/s1
InChIKeyLHRIOBIKGNBLTO-UMXCCTQBSA-N
MW2361.00 g/mol
LogP31.26
Rot. Bonds22

About (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

(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 (PubChem CID 159353976) has the molecular formula C147H167F5N10O12 and a molecular weight of 2361.00 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID159353976
Molecular FormulaC147H167F5N10O12
Molecular Weight2361.00 g/mol
Exact Mass2359.27
IUPAC Name(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
SMILESCOc1ccc(C2[C@@H](C(=O)Nc3cccc(C(C)(C)C)c3)CCCN2C(=O)c2c(C)cccc2C)cc1.COc1ccc([C@H]2[C@@H](C(=O)Nc3cccc(C(C)(C)C)c3)CCCN2C(=O)c2ccccc2C)cc1.Cc1ccccc1C(=O)N1CCC[C@H](C(=O)Nc2cccc(C(C)(C)C)c2)[C@@H]1C1CC1.O=C(Nc1ccc2c(c1)CCC2)[C@H]1CCCN(C(=O)c2c(F)cccc2F)[C@H]1C1CCCCC1.O=C(Nc1ccc2c(c1)CCC2)[C@H]1CCCN(C(=O)c2ccccc2C(F)(F)F)[C@H]1c1ccccc1
InChIInChI=1S/C32H38N2O3.C31H36N2O3.C29H27F3N2O2.C28H32F2N2O2.C27H34N2O2/c1-21-10-7-11-22(2)28(21)31(36)34-19-9-14-27(29(34)23-15-17-26(37-6)18-16-23)30(35)33-25-13-8-12-24(20-25)32(3,4)5;1-21-10-6-7-13-26(21)30(35)33-19-9-14-27(28(33)22-15-17-25(36-5)18-16-22)29(34)32-24-12-8-11-23(20-24)31(2,3)4;30-29(31,32)25-14-5-4-12-23(25)28(36)34-17-7-13-24(26(34)20-8-2-1-3-9-20)27(35)33-22-16-15-19-10-6-11-21(19)18-22;29-23-12-5-13-24(30)25(23)28(34)32-16-6-11-22(26(32)19-7-2-1-3-8-19)27(33)31-21-15-14-18-9-4-10-20(18)17-21;1-18-9-5-6-12-22(18)26(31)29-16-8-13-23(24(29)19-14-15-19)25(30)28-21-11-7-10-20(17-21)27(2,3)4/h7-8,10-13,15-18,20,27,29H,9,14,19H2,1-6H3,(H,33,35);6-8,10-13,15-18,20,27-28H,9,14,19H2,1-5H3,(H,32,34);1-5,8-9,12,14-16,18,24,26H,6-7,10-11,13,17H2,(H,33,35);5,12-15,17,19,22,26H,1-4,6-11,16H2,(H,31,33);5-7,9-12,17,19,23-24H,8,13-16H2,1-4H3,(H,28,30)/t27-,29?;27-,28-;24-,26-;22-,26-;23-,24-/m00000/s1
InChIKeyLHRIOBIKGNBLTO-UMXCCTQBSA-N
XLogP31.26
TPSA265.51 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds22
Heavy Atoms174
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002361.00
LogP ≤ 531.26
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Analyze (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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2S,4R)-4-(4-fluoro-2-methoxyanilino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-(2-methoxyanilino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;methyl 4-[[(2S,4R)-1-acetyl-6-[3-(cyclopentylamino)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;methyl 4-[[(2S,4R)-1-acetyl-6-[3-(cyclopentylmethylamino)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-[2-(trifluoromethyl)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 158326968
tert-butylcyclopropane;6-tert-butyl-2,3-dihydro-1H-indole;(4-tert-butyl-3-methoxyphenyl)-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone;(4-tert-butyl-3-methoxyphenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone;5-tert-butyl-2-methylidene-1,3-dihydroindene;(4-tert-butylphenyl)-(4-ethylpiperazin-1-yl)methanone;1-(4-tert-butylphenyl)-4-methylpiperazine;[4-tert-butyl-3-(trifluoromethoxy)phenyl]-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone;[4-tert-butyl-2-(trifluoromethyl)phenyl]-(4-methylpiperidin-1-yl)methanone;1-(4-ethylpiperazin-1-yl)-2-(4-methylphenyl)ethanone
CID 160166667
(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
(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
(2R,3S)-2-[4-(cyclopentylamino)phenyl]-N-(3,4-dimethylphenyl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(4-methyl-3-propan-2-yloxyphenyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide;(2R,3S)-N-(3,4-dimethylphenyl)-1-(2-fluoro-6-methylbenzoyl)-2-[4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]piperidine-3-carboxamide
CID 164987372
tris((2R)-2-[4-(cyclopentylamino)phenyl]-N-(3,4-dimethylphenyl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide);(2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(4-methyl-3-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide;(2R)-2-(4-cyclopentyloxyphenyl)-N-(3,4-dimethylphenyl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide
CID 157080143
tris((2R,3S)-2-[4-(cyclopentylamino)phenyl]-N-(3,4-dimethylphenyl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide);(2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(4-methyl-3-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide;(2R,3S)-2-(4-cyclopentyloxyphenyl)-N-(3,4-dimethylphenyl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide
CID 157080144
(2R,3S)-2-[4-(cyclopentylamino)phenyl]-N-(3,4-dimethylphenyl)-6,7-difluoro-1-(2-fluoro-6-methylbenzoyl)-3,4-dihydro-2H-quinoline-3-carboxamide;(2R,3S)-2-[4-(cyclopentylamino)phenyl]-N-(3,4-dimethylphenyl)-6-fluoro-1-(2-fluoro-6-methylbenzoyl)-3,4-dihydro-2H-quinoline-3-carboxamide;(2R,3S)-2-[4-(cyclopentylamino)phenyl]-N-(3,4-dimethylphenyl)-1-(2-fluoro-6-methylbenzoyl)-6-methoxy-3,4-dihydro-2H-quinoline-3-carboxamide;(2R,3S)-2-[4-(cyclopentylamino)phenyl]-N-(3,4-dimethylphenyl)-1-(2-fluoro-6-methylbenzoyl)-6-methyl-3,4-dihydro-2H-quinoline-3-carboxamide
CID 157278467
(2R,3S)-N-(3-tert-butylphenyl)-1-(2,6-dimethylbenzoyl)-2-(4-methylphenyl)piperidine-3-carboxamide;(2R,3S)-N-(3-tert-butylphenyl)-2-(4-methoxyphenyl)-N-methyl-1-(2-methylbenzoyl)piperidine-3-carboxamide;(2S,3S)-2-cyclohexyl-1-(2,6-dimethylbenzoyl)-N-(2-isocyano-5-methylphenyl)piperidine-3-carboxamide
CID 157709439
1-[(2S,4R)-4-(4-fluoro-2-methoxyanilino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;methane;methyl 4-[[(2S,4R)-1-acetyl-6-[3-(butylamino)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;methyl 4-[[(2S,4R)-1-acetyl-6-[3-(cyclopentylamino)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;methyl 4-[[(2S,4R)-1-acetyl-6-[3-(cyclopentylmethylamino)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;bis(methyl 4-[[(2S,4R)-1-acetyl-2-methyl-6-[3-(propylamino)phenyl]-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate)
CID 158695719
(2R,3S)-N-(3-tert-butylphenyl)-2-[4-[(2-tert-butylpyrrolidin-1-yl)methyl]phenyl]-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-N-(3-tert-butylphenyl)-2-(4-cyclopentyloxyphenyl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-N-(3-tert-butylphenyl)-1-(2-fluoro-6-methylbenzoyl)-2-[4-[(2-methylcyclopentyl)amino]phenyl]piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclopentylamino)phenyl]-N-(4-ethyl-3-pyrrolidin-1-ylphenyl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide
CID 161120574
(2R,3S)-N-(3-tert-butylphenyl)-1-(2,6-dimethylbenzoyl)-2-(3-fluoro-4-methoxyphenyl)piperidine-3-carboxamide;(2S,3S)-N-(3-tert-butylphenyl)-1-(2,6-dimethylbenzoyl)-2-(4-methylcyclohexyl)piperidine-3-carboxamide;(2R,3S)-1-(2,6-dimethylbenzoyl)-N-(3-methylphenyl)-2-phenylpiperidine-3-carboxamide
CID 161946164

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is COc1ccc(C2[C@@H](C(=O)Nc3cccc(C(C)(C)C)c3)CCCN2C(=O)c2c(C)cccc2C)cc1.COc1ccc([C@H]2[C@@H](C(=O)Nc3cccc(C(C)(C)C)c3)CCCN2C(=O)c2ccccc2C)cc1.Cc1ccccc1C(=O)N1CCC[C@H](C(=O)Nc2cccc(C(C)(C)C)c2)[C@@H]1C1CC1.O=C(Nc1ccc2c(c1)CCC2)[C@H]1CCCN(C(=O)c2c(F)cccc2F)[C@H]1C1CCCCC1.O=C(Nc1ccc2c(c1)CCC2)[C@H]1CCCN(C(=O)c2ccccc2C(F)(F)F)[C@H]1c1ccccc1.
What is the InChIKey of (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?
The InChIKey is LHRIOBIKGNBLTO-UMXCCTQBSA-N. The full InChI is InChI=1S/C32H38N2O3.C31H36N2O3.C29H27F3N2O2.C28H32F2N2O2.C27H34N2O2/c1-21-10-7-11-22(2)28(21)31(36)34-19-9-14-27(29(34)23-15-17-26(37-6)18-16-23)30(35)33-25-13-8-12-24(20-25)32(3,4)5;1-21-10-6-7-13-26(21)30(35)33-19-9-14-27(28(33)22-15-17-25(36-5)18-16-22)29(34)32-24-12-8-11-23(20-24)31(2,3)4;30-29(31,32)25-14-5-4-12-23(25)28(36)34-17-7-13-24(26(34)20-8-2-1-3-9-20)27(35)33-22-16-15-19-10-6-11-21(19)18-22;29-23-12-5-13-24(30)25(23)28(34)32-16-6-11-22(26(32)19-7-2-1-3-8-19)27(33)31-21-15-14-18-9-4-10-20(18)17-21;1-18-9-5-6-12-22(18)26(31)29-16-8-13-23(24(29)19-14-15-19)25(30)28-21-11-7-10-20(17-21)27(2,3)4/h7-8,10-13,15-18,20,27,29H,9,14,19H2,1-6H3,(H,33,35);6-8,10-13,15-18,20,27-28H,9,14,19H2,1-5H3,(H,32,34);1-5,8-9,12,14-16,18,24,26H,6-7,10-11,13,17H2,(H,33,35);5,12-15,17,19,22,26H,1-4,6-11,16H2,(H,31,33);5-7,9-12,17,19,23-24H,8,13-16H2,1-4H3,(H,28,30)/t27-,29?;27-,28-;24-,26-;22-,26-;23-,24-/m00000/s1.
What are the key properties of (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?
(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 has a molecular weight of 2361.00 g/mol, XLogP of 31.26, 22 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 159353976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).