(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

C147H180F4N12O9 — CID 161120574

IUPAC(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
SMILESCCc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3c(C)cccc3F)[C@H]2c2ccc(NC3CCCC3)cc2)cc1N1CCCC1.Cc1cccc(F)c1C(=O)N1CCC[C@H](C(=O)Nc2cccc(C(C)(C)C)c2)C1c1ccc(CN2CCCC2C(C)(C)C)cc1.Cc1cccc(F)c1C(=O)N1CCC[C@H](C(=O)Nc2cccc(C(C)(C)C)c2)C1c1ccc(NC2CCCC2C)cc1.Cc1cccc(F)c1C(=O)N1CCC[C@H](C(=O)Nc2cccc(C(C)(C)C)c2)[C@@H]1c1ccc(OC2CCCC2)cc1
InChIInChI=1S/C39H50FN3O2.C37H45FN4O2.C36H44FN3O2.C35H41FN2O3/c1-26-12-8-16-32(40)34(26)37(45)43-23-10-15-31(36(44)41-30-14-9-13-29(24-30)38(2,3)4)35(43)28-20-18-27(19-21-28)25-42-22-11-17-33(42)39(5,6)7;1-3-26-15-20-30(24-33(26)41-21-6-7-22-41)40-36(43)31-13-9-23-42(37(44)34-25(2)10-8-14-32(34)38)35(31)27-16-18-29(19-17-27)39-28-11-4-5-12-28;1-23-10-7-16-31(23)38-27-19-17-25(18-20-27)33-29(34(41)39-28-13-8-12-26(22-28)36(3,4)5)14-9-21-40(33)35(42)32-24(2)11-6-15-30(32)37;1-23-10-7-16-30(36)31(23)34(40)38-21-9-15-29(33(39)37-26-12-8-11-25(22-26)35(2,3)4)32(38)24-17-19-28(20-18-24)41-27-13-5-6-14-27/h8-9,12-14,16,18-21,24,31,33,35H,10-11,15,17,22-23,25H2,1-7H3,(H,41,44);8,10,14-20,24,28,31,35,39H,3-7,9,11-13,21-23H2,1-2H3,(H,40,43);6,8,11-13,15,17-20,22-23,29,31,33,38H,7,9-10,14,16,21H2,1-5H3,(H,39,41);7-8,10-12,16-20,22,27,29,32H,5-6,9,13-15,21H2,1-4H3,(H,37,39)/t31-,33?,35?;31-,35-;23?,29-,31?,33?;29-,32-/m0000/s1
InChIKeyUKWYZBWHHWSBOX-ACNLBELUSA-N
MW2335.12 g/mol
LogP32.81
Rot. Bonds26

About (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

(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 (PubChem CID 161120574) has the molecular formula C147H180F4N12O9 and a molecular weight of 2335.12 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID161120574
Molecular FormulaC147H180F4N12O9
Molecular Weight2335.12 g/mol
Exact Mass2333.39
IUPAC Name(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
SMILESCCc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3c(C)cccc3F)[C@H]2c2ccc(NC3CCCC3)cc2)cc1N1CCCC1.Cc1cccc(F)c1C(=O)N1CCC[C@H](C(=O)Nc2cccc(C(C)(C)C)c2)C1c1ccc(CN2CCCC2C(C)(C)C)cc1.Cc1cccc(F)c1C(=O)N1CCC[C@H](C(=O)Nc2cccc(C(C)(C)C)c2)C1c1ccc(NC2CCCC2C)cc1.Cc1cccc(F)c1C(=O)N1CCC[C@H](C(=O)Nc2cccc(C(C)(C)C)c2)[C@@H]1c1ccc(OC2CCCC2)cc1
InChIInChI=1S/C39H50FN3O2.C37H45FN4O2.C36H44FN3O2.C35H41FN2O3/c1-26-12-8-16-32(40)34(26)37(45)43-23-10-15-31(36(44)41-30-14-9-13-29(24-30)38(2,3)4)35(43)28-20-18-27(19-21-28)25-42-22-11-17-33(42)39(5,6)7;1-3-26-15-20-30(24-33(26)41-21-6-7-22-41)40-36(43)31-13-9-23-42(37(44)34-25(2)10-8-14-32(34)38)35(31)27-16-18-29(19-17-27)39-28-11-4-5-12-28;1-23-10-7-16-31(23)38-27-19-17-25(18-20-27)33-29(34(41)39-28-13-8-12-26(22-28)36(3,4)5)14-9-21-40(33)35(42)32-24(2)11-6-15-30(32)37;1-23-10-7-16-30(36)31(23)34(40)38-21-9-15-29(33(39)37-26-12-8-11-25(22-26)35(2,3)4)32(38)24-17-19-28(20-18-24)41-27-13-5-6-14-27/h8-9,12-14,16,18-21,24,31,33,35H,10-11,15,17,22-23,25H2,1-7H3,(H,41,44);8,10,14-20,24,28,31,35,39H,3-7,9,11-13,21-23H2,1-2H3,(H,40,43);6,8,11-13,15,17-20,22-23,29,31,33,38H,7,9-10,14,16,21H2,1-5H3,(H,39,41);7-8,10-12,16-20,22,27,29,32H,5-6,9,13-15,21H2,1-4H3,(H,37,39)/t31-,33?,35?;31-,35-;23?,29-,31?,33?;29-,32-/m0000/s1
InChIKeyUKWYZBWHHWSBOX-ACNLBELUSA-N
XLogP32.81
TPSA237.41 Ų
H-Bond Donors6
H-Bond Acceptors13
Rotatable Bonds26
Heavy Atoms172
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002335.12
LogP ≤ 532.81
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1013

Analyze (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 with MolForge

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Related Compounds

(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-(3-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide;(2R,3S)-1-(2-fluoro-6-methylbenzoyl)-2-[4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 157305718
(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
(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
(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)-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
(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-pyrrolidin-1-ylphenyl)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;(2R,3S)-N-(4-ethyl-3-pyrrolidin-1-ylphenyl)-1-(2-fluoro-6-methylbenzoyl)-2-[4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]piperidine-3-carboxamide;methane
CID 165068824
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-(cyclobutylamino)phenyl]-N-(4-ethyl-3-pyrrolidin-1-ylphenyl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclohexylamino)phenyl]-N-(4-ethyl-3-pyrrolidin-1-ylphenyl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclohexylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(4-methyl-3-pyrrolidin-1-ylphenyl)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)-N-(3,4-dimethylphenyl)-1-(2-fluoro-6-methylbenzoyl)-2-[4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]piperidine-3-carboxamide
CID 157123127
(2R)-2-[4-(cyclobutylamino)phenyl]-N-(4-ethyl-3-pyrrolidin-1-ylphenyl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R)-2-[4-(cyclohexylamino)phenyl]-N-(4-ethyl-3-pyrrolidin-1-ylphenyl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R)-2-[4-(cyclohexylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(4-methyl-3-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide;(2R)-2-[4-(cyclopentylamino)phenyl]-N-(2,3-dihydro-1H-inden-5-yl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(4-methyl-3-propan-2-yloxyphenyl)piperidine-3-carboxamide
CID 159251885
(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 162005795

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CCc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3c(C)cccc3F)[C@H]2c2ccc(NC3CCCC3)cc2)cc1N1CCCC1.Cc1cccc(F)c1C(=O)N1CCC[C@H](C(=O)Nc2cccc(C(C)(C)C)c2)C1c1ccc(CN2CCCC2C(C)(C)C)cc1.Cc1cccc(F)c1C(=O)N1CCC[C@H](C(=O)Nc2cccc(C(C)(C)C)c2)C1c1ccc(NC2CCCC2C)cc1.Cc1cccc(F)c1C(=O)N1CCC[C@H](C(=O)Nc2cccc(C(C)(C)C)c2)[C@@H]1c1ccc(OC2CCCC2)cc1.
What is the InChIKey of (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?
The InChIKey is UKWYZBWHHWSBOX-ACNLBELUSA-N. The full InChI is InChI=1S/C39H50FN3O2.C37H45FN4O2.C36H44FN3O2.C35H41FN2O3/c1-26-12-8-16-32(40)34(26)37(45)43-23-10-15-31(36(44)41-30-14-9-13-29(24-30)38(2,3)4)35(43)28-20-18-27(19-21-28)25-42-22-11-17-33(42)39(5,6)7;1-3-26-15-20-30(24-33(26)41-21-6-7-22-41)40-36(43)31-13-9-23-42(37(44)34-25(2)10-8-14-32(34)38)35(31)27-16-18-29(19-17-27)39-28-11-4-5-12-28;1-23-10-7-16-31(23)38-27-19-17-25(18-20-27)33-29(34(41)39-28-13-8-12-26(22-28)36(3,4)5)14-9-21-40(33)35(42)32-24(2)11-6-15-30(32)37;1-23-10-7-16-30(36)31(23)34(40)38-21-9-15-29(33(39)37-26-12-8-11-25(22-26)35(2,3)4)32(38)24-17-19-28(20-18-24)41-27-13-5-6-14-27/h8-9,12-14,16,18-21,24,31,33,35H,10-11,15,17,22-23,25H2,1-7H3,(H,41,44);8,10,14-20,24,28,31,35,39H,3-7,9,11-13,21-23H2,1-2H3,(H,40,43);6,8,11-13,15,17-20,22-23,29,31,33,38H,7,9-10,14,16,21H2,1-5H3,(H,39,41);7-8,10-12,16-20,22,27,29,32H,5-6,9,13-15,21H2,1-4H3,(H,37,39)/t31-,33?,35?;31-,35-;23?,29-,31?,33?;29-,32-/m0000/s1.
What are the key properties of (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?
(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 has a molecular weight of 2335.12 g/mol, XLogP of 32.81, 26 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 161120574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).