(2R,3S)-N-(3-tert-butylphenyl)-1-(4-chloro-2-methylbenzoyl)-2-[4-(3,3-dimethylbutyl)phenyl]piperidine-3-carboxamide;(2R,3S)-N-(3-tert-butylphenyl)-2-[4-(cyclohexylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-N-(3-tert-butylphenyl)-2-[4-(3,3-dimethylbutyl)phenyl]-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-N-(4-chloro-3-pyrrolidin-1-ylphenyl)-1-(2-fluoro-6-methylbenzoyl)-2-phenylpiperidine-3-carboxamide

C138H165Cl2F3N10O8 — CID 159553583

IUPAC(2R,3S)-N-(3-tert-butylphenyl)-1-(4-chloro-2-methylbenzoyl)-2-[4-(3,3-dimethylbutyl)phenyl]piperidine-3-carboxamide;(2R,3S)-N-(3-tert-butylphenyl)-2-[4-(cyclohexylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-N-(3-tert-butylphenyl)-2-[4-(3,3-dimethylbutyl)phenyl]-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-N-(4-chloro-3-pyrrolidin-1-ylphenyl)-1-(2-fluoro-6-methylbenzoyl)-2-phenylpiperidine-3-carboxamide
SMILESCc1cc(Cl)ccc1C(=O)N1CCC[C@H](C(=O)Nc2cccc(C(C)(C)C)c2)[C@@H]1c1ccc(CCC(C)(C)C)cc1.Cc1cccc(F)c1C(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)c(N3CCCC3)c2)[C@@H]1c1ccccc1.Cc1cccc(F)c1C(=O)N1CCC[C@H](C(=O)Nc2cccc(C(C)(C)C)c2)C1c1ccc(NC2CCCCC2)cc1.Cc1cccc(F)c1C(=O)N1CCC[C@H](C(=O)Nc2cccc(C(C)(C)C)c2)[C@@H]1c1ccc(CCC(C)(C)C)cc1
InChIInChI=1S/C36H45ClN2O2.C36H44FN3O2.C36H45FN2O2.C30H31ClFN3O2/c1-24-22-28(37)17-18-30(24)34(41)39-21-9-12-31(33(40)38-29-11-8-10-27(23-29)36(5,6)7)32(39)26-15-13-25(14-16-26)19-20-35(2,3)4;1-24-11-8-17-31(37)32(24)35(42)40-22-10-16-30(34(41)39-29-15-9-12-26(23-29)36(2,3)4)33(40)25-18-20-28(21-19-25)38-27-13-6-5-7-14-27;1-24-11-8-15-30(37)31(24)34(41)39-22-10-14-29(33(40)38-28-13-9-12-27(23-28)36(5,6)7)32(39)26-18-16-25(17-19-26)20-21-35(2,3)4;1-20-9-7-13-25(32)27(20)30(37)35-18-8-12-23(28(35)21-10-3-2-4-11-21)29(36)33-22-14-15-24(31)26(19-22)34-16-5-6-17-34/h8,10-11,13-18,22-23,31-32H,9,12,19-21H2,1-7H3,(H,38,40);8-9,11-12,15,17-21,23,27,30,33,38H,5-7,10,13-14,16,22H2,1-4H3,(H,39,41);8-9,11-13,15-19,23,29,32H,10,14,20-22H2,1-7H3,(H,38,40);2-4,7,9-11,13-15,19,23,28H,5-6,8,12,16-18H2,1H3,(H,33,36)/t31-,32-;30-,33?;29-,32-;23-,28-/m0000/s1
InChIKeyMFRWLZBAXDUDBD-VUEJCCAJSA-N
MW2219.80 g/mol
LogP32.83
Rot. Bonds23

About (2R,3S)-N-(3-tert-butylphenyl)-1-(4-chloro-2-methylbenzoyl)-2-[4-(3,3-dimethylbutyl)phenyl]piperidine-3-carboxamide;(2R,3S)-N-(3-tert-butylphenyl)-2-[4-(cyclohexylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-N-(3-tert-butylphenyl)-2-[4-(3,3-dimethylbutyl)phenyl]-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-N-(4-chloro-3-pyrrolidin-1-ylphenyl)-1-(2-fluoro-6-methylbenzoyl)-2-phenylpiperidine-3-carboxamide

(2R,3S)-N-(3-tert-butylphenyl)-1-(4-chloro-2-methylbenzoyl)-2-[4-(3,3-dimethylbutyl)phenyl]piperidine-3-carboxamide;(2R,3S)-N-(3-tert-butylphenyl)-2-[4-(cyclohexylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-N-(3-tert-butylphenyl)-2-[4-(3,3-dimethylbutyl)phenyl]-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-N-(4-chloro-3-pyrrolidin-1-ylphenyl)-1-(2-fluoro-6-methylbenzoyl)-2-phenylpiperidine-3-carboxamide (PubChem CID 159553583) has the molecular formula C138H165Cl2F3N10O8 and a molecular weight of 2219.80 g/mol. Its IUPAC name is (2R,3S)-N-(3-tert-butylphenyl)-1-(4-chloro-2-methylbenzoyl)-2-[4-(3,3-dimethylbutyl)phenyl]piperidine-3-carboxamide;(2R,3S)-N-(3-tert-butylphenyl)-2-[4-(cyclohexylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-N-(3-tert-butylphenyl)-2-[4-(3,3-dimethylbutyl)phenyl]-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-N-(4-chloro-3-pyrrolidin-1-ylphenyl)-1-(2-fluoro-6-methylbenzoyl)-2-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-(3-tert-butylphenyl)-1-(4-chloro-2-methylbenzoyl)-2-[4-(3,3-dimethylbutyl)phenyl]piperidine-3-carboxamide;(2R,3S)-N-(3-tert-butylphenyl)-2-[4-(cyclohexylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-N-(3-tert-butylphenyl)-2-[4-(3,3-dimethylbutyl)phenyl]-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-N-(4-chloro-3-pyrrolidin-1-ylphenyl)-1-(2-fluoro-6-methylbenzoyl)-2-phenylpiperidine-3-carboxamide
PubChem CID159553583
Molecular FormulaC138H165Cl2F3N10O8
Molecular Weight2219.80 g/mol
Exact Mass2217.21
IUPAC Name(2R,3S)-N-(3-tert-butylphenyl)-1-(4-chloro-2-methylbenzoyl)-2-[4-(3,3-dimethylbutyl)phenyl]piperidine-3-carboxamide;(2R,3S)-N-(3-tert-butylphenyl)-2-[4-(cyclohexylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-N-(3-tert-butylphenyl)-2-[4-(3,3-dimethylbutyl)phenyl]-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-N-(4-chloro-3-pyrrolidin-1-ylphenyl)-1-(2-fluoro-6-methylbenzoyl)-2-phenylpiperidine-3-carboxamide
SMILESCc1cc(Cl)ccc1C(=O)N1CCC[C@H](C(=O)Nc2cccc(C(C)(C)C)c2)[C@@H]1c1ccc(CCC(C)(C)C)cc1.Cc1cccc(F)c1C(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)c(N3CCCC3)c2)[C@@H]1c1ccccc1.Cc1cccc(F)c1C(=O)N1CCC[C@H](C(=O)Nc2cccc(C(C)(C)C)c2)C1c1ccc(NC2CCCCC2)cc1.Cc1cccc(F)c1C(=O)N1CCC[C@H](C(=O)Nc2cccc(C(C)(C)C)c2)[C@@H]1c1ccc(CCC(C)(C)C)cc1
InChIInChI=1S/C36H45ClN2O2.C36H44FN3O2.C36H45FN2O2.C30H31ClFN3O2/c1-24-22-28(37)17-18-30(24)34(41)39-21-9-12-31(33(40)38-29-11-8-10-27(23-29)36(5,6)7)32(39)26-15-13-25(14-16-26)19-20-35(2,3)4;1-24-11-8-17-31(37)32(24)35(42)40-22-10-16-30(34(41)39-29-15-9-12-26(23-29)36(2,3)4)33(40)25-18-20-28(21-19-25)38-27-13-6-5-7-14-27;1-24-11-8-15-30(37)31(24)34(41)39-22-10-14-29(33(40)38-28-13-9-12-27(23-28)36(5,6)7)32(39)26-18-16-25(17-19-26)20-21-35(2,3)4;1-20-9-7-13-25(32)27(20)30(37)35-18-8-12-23(28(35)21-10-3-2-4-11-21)29(36)33-22-14-15-24(31)26(19-22)34-16-5-6-17-34/h8,10-11,13-18,22-23,31-32H,9,12,19-21H2,1-7H3,(H,38,40);8-9,11-12,15,17-21,23,27,30,33,38H,5-7,10,13-14,16,22H2,1-4H3,(H,39,41);8-9,11-13,15-19,23,29,32H,10,14,20-22H2,1-7H3,(H,38,40);2-4,7,9-11,13-15,19,23,28H,5-6,8,12,16-18H2,1H3,(H,33,36)/t31-,32-;30-,33?;29-,32-;23-,28-/m0000/s1
InChIKeyMFRWLZBAXDUDBD-VUEJCCAJSA-N
XLogP32.83
TPSA212.91 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds23
Heavy Atoms161
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002219.80
LogP ≤ 532.83
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze (2R,3S)-N-(3-tert-butylphenyl)-1-(4-chloro-2-methylbenzoyl)-2-[4-(3,3-dimethylbutyl)phenyl]piperidine-3-carboxamide;(2R,3S)-N-(3-tert-butylphenyl)-2-[4-(cyclohexylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-N-(3-tert-butylphenyl)-2-[4-(3,3-dimethylbutyl)phenyl]-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-N-(4-chloro-3-pyrrolidin-1-ylphenyl)-1-(2-fluoro-6-methylbenzoyl)-2-phenylpiperidine-3-carboxamide with MolForge

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Related Compounds

(2R)-2-[4-(cyclohexylamino)phenyl]-N-(4-ethyl-3-pyrrolidin-1-ylphenyl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide
CID 121381991
(2R)-2-[4-(cyclopentylamino)phenyl]-N-(4-ethyl-3-pyrrolidin-1-ylphenyl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide
CID 130231869
(2R)-N-(3-tert-butylphenyl)-1-(2-fluoro-6-methylbenzoyl)-2-[4-(pyrrolidin-1-ylmethyl)phenyl]piperidine-3-carboxamide
CID 121382004
(3S)-N-(3-tert-butylphenyl)-1-(2-fluoro-6-methylbenzoyl)-2-[4-(3-hydroxypropyl)phenyl]piperidine-3-carboxamide
CID 139317788
(2R)-N-(3-tert-butylphenyl)-2-[4-[(cyclobutylamino)methyl]phenyl]-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide
CID 138526895
(2R)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(3-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide
CID 126604008
(3S)-N-(3-tert-butylphenyl)-1-(2-fluoro-6-methylbenzoyl)-2-(4-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide
CID 147838203
N-(3-tert-butylphenyl)-1-(2-fluoro-6-methylbenzoyl)-2-[4-[(3-hydroxycyclopentyl)amino]phenyl]piperidine-3-carboxamide
CID 70880770
(2R,3S)-2-[4-(cyclohexylamino)phenyl]-1-(2,6-dimethylbenzoyl)-N-(4-methyl-3-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide
CID 118087061
(2R,3S)-2-[4-(cyclopentylamino)phenyl]-N-[3-(1,1-difluoroethyl)-4-methylphenyl]-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide
CID 46830716
1-(2-fluoro-6-methylbenzoyl)-N-(4-methyl-3-pyrrolidin-1-ylphenyl)-2-[4-(oxan-4-ylamino)phenyl]piperidine-3-carboxamide
CID 75214882
(2R,3S)-1-(2-fluoro-6-methylbenzoyl)-2-phenyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 59376161

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-(3-tert-butylphenyl)-1-(4-chloro-2-methylbenzoyl)-2-[4-(3,3-dimethylbutyl)phenyl]piperidine-3-carboxamide;(2R,3S)-N-(3-tert-butylphenyl)-2-[4-(cyclohexylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-N-(3-tert-butylphenyl)-2-[4-(3,3-dimethylbutyl)phenyl]-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-N-(4-chloro-3-pyrrolidin-1-ylphenyl)-1-(2-fluoro-6-methylbenzoyl)-2-phenylpiperidine-3-carboxamide?
The IUPAC name of (2R,3S)-N-(3-tert-butylphenyl)-1-(4-chloro-2-methylbenzoyl)-2-[4-(3,3-dimethylbutyl)phenyl]piperidine-3-carboxamide;(2R,3S)-N-(3-tert-butylphenyl)-2-[4-(cyclohexylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-N-(3-tert-butylphenyl)-2-[4-(3,3-dimethylbutyl)phenyl]-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-N-(4-chloro-3-pyrrolidin-1-ylphenyl)-1-(2-fluoro-6-methylbenzoyl)-2-phenylpiperidine-3-carboxamide (CID 159553583) is (2R,3S)-N-(3-tert-butylphenyl)-1-(4-chloro-2-methylbenzoyl)-2-[4-(3,3-dimethylbutyl)phenyl]piperidine-3-carboxamide;(2R,3S)-N-(3-tert-butylphenyl)-2-[4-(cyclohexylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-N-(3-tert-butylphenyl)-2-[4-(3,3-dimethylbutyl)phenyl]-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-N-(4-chloro-3-pyrrolidin-1-ylphenyl)-1-(2-fluoro-6-methylbenzoyl)-2-phenylpiperidine-3-carboxamide.
What is the SMILES notation for (2R,3S)-N-(3-tert-butylphenyl)-1-(4-chloro-2-methylbenzoyl)-2-[4-(3,3-dimethylbutyl)phenyl]piperidine-3-carboxamide;(2R,3S)-N-(3-tert-butylphenyl)-2-[4-(cyclohexylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-N-(3-tert-butylphenyl)-2-[4-(3,3-dimethylbutyl)phenyl]-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-N-(4-chloro-3-pyrrolidin-1-ylphenyl)-1-(2-fluoro-6-methylbenzoyl)-2-phenylpiperidine-3-carboxamide?
The canonical SMILES for (2R,3S)-N-(3-tert-butylphenyl)-1-(4-chloro-2-methylbenzoyl)-2-[4-(3,3-dimethylbutyl)phenyl]piperidine-3-carboxamide;(2R,3S)-N-(3-tert-butylphenyl)-2-[4-(cyclohexylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-N-(3-tert-butylphenyl)-2-[4-(3,3-dimethylbutyl)phenyl]-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-N-(4-chloro-3-pyrrolidin-1-ylphenyl)-1-(2-fluoro-6-methylbenzoyl)-2-phenylpiperidine-3-carboxamide is Cc1cc(Cl)ccc1C(=O)N1CCC[C@H](C(=O)Nc2cccc(C(C)(C)C)c2)[C@@H]1c1ccc(CCC(C)(C)C)cc1.Cc1cccc(F)c1C(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)c(N3CCCC3)c2)[C@@H]1c1ccccc1.Cc1cccc(F)c1C(=O)N1CCC[C@H](C(=O)Nc2cccc(C(C)(C)C)c2)C1c1ccc(NC2CCCCC2)cc1.Cc1cccc(F)c1C(=O)N1CCC[C@H](C(=O)Nc2cccc(C(C)(C)C)c2)[C@@H]1c1ccc(CCC(C)(C)C)cc1.
What is the InChIKey of (2R,3S)-N-(3-tert-butylphenyl)-1-(4-chloro-2-methylbenzoyl)-2-[4-(3,3-dimethylbutyl)phenyl]piperidine-3-carboxamide;(2R,3S)-N-(3-tert-butylphenyl)-2-[4-(cyclohexylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-N-(3-tert-butylphenyl)-2-[4-(3,3-dimethylbutyl)phenyl]-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-N-(4-chloro-3-pyrrolidin-1-ylphenyl)-1-(2-fluoro-6-methylbenzoyl)-2-phenylpiperidine-3-carboxamide?
The InChIKey is MFRWLZBAXDUDBD-VUEJCCAJSA-N. The full InChI is InChI=1S/C36H45ClN2O2.C36H44FN3O2.C36H45FN2O2.C30H31ClFN3O2/c1-24-22-28(37)17-18-30(24)34(41)39-21-9-12-31(33(40)38-29-11-8-10-27(23-29)36(5,6)7)32(39)26-15-13-25(14-16-26)19-20-35(2,3)4;1-24-11-8-17-31(37)32(24)35(42)40-22-10-16-30(34(41)39-29-15-9-12-26(23-29)36(2,3)4)33(40)25-18-20-28(21-19-25)38-27-13-6-5-7-14-27;1-24-11-8-15-30(37)31(24)34(41)39-22-10-14-29(33(40)38-28-13-9-12-27(23-28)36(5,6)7)32(39)26-18-16-25(17-19-26)20-21-35(2,3)4;1-20-9-7-13-25(32)27(20)30(37)35-18-8-12-23(28(35)21-10-3-2-4-11-21)29(36)33-22-14-15-24(31)26(19-22)34-16-5-6-17-34/h8,10-11,13-18,22-23,31-32H,9,12,19-21H2,1-7H3,(H,38,40);8-9,11-12,15,17-21,23,27,30,33,38H,5-7,10,13-14,16,22H2,1-4H3,(H,39,41);8-9,11-13,15-19,23,29,32H,10,14,20-22H2,1-7H3,(H,38,40);2-4,7,9-11,13-15,19,23,28H,5-6,8,12,16-18H2,1H3,(H,33,36)/t31-,32-;30-,33?;29-,32-;23-,28-/m0000/s1.
What are the key properties of (2R,3S)-N-(3-tert-butylphenyl)-1-(4-chloro-2-methylbenzoyl)-2-[4-(3,3-dimethylbutyl)phenyl]piperidine-3-carboxamide;(2R,3S)-N-(3-tert-butylphenyl)-2-[4-(cyclohexylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-N-(3-tert-butylphenyl)-2-[4-(3,3-dimethylbutyl)phenyl]-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-N-(4-chloro-3-pyrrolidin-1-ylphenyl)-1-(2-fluoro-6-methylbenzoyl)-2-phenylpiperidine-3-carboxamide?
(2R,3S)-N-(3-tert-butylphenyl)-1-(4-chloro-2-methylbenzoyl)-2-[4-(3,3-dimethylbutyl)phenyl]piperidine-3-carboxamide;(2R,3S)-N-(3-tert-butylphenyl)-2-[4-(cyclohexylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-N-(3-tert-butylphenyl)-2-[4-(3,3-dimethylbutyl)phenyl]-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-N-(4-chloro-3-pyrrolidin-1-ylphenyl)-1-(2-fluoro-6-methylbenzoyl)-2-phenylpiperidine-3-carboxamide has a molecular weight of 2219.80 g/mol, XLogP of 32.83, 23 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-(3-tert-butylphenyl)-1-(4-chloro-2-methylbenzoyl)-2-[4-(3,3-dimethylbutyl)phenyl]piperidine-3-carboxamide;(2R,3S)-N-(3-tert-butylphenyl)-2-[4-(cyclohexylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-N-(3-tert-butylphenyl)-2-[4-(3,3-dimethylbutyl)phenyl]-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-N-(4-chloro-3-pyrrolidin-1-ylphenyl)-1-(2-fluoro-6-methylbenzoyl)-2-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 159553583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).