(2S,3S)-N-(3-tert-butylphenyl)-2-(cyclohexylmethyl)-1-(2,4-dimethylbenzoyl)piperidine-3-carboxamide

C32H44N2O2 — CID 72544286

IUPAC(2S,3S)-N-(3-tert-butylphenyl)-2-(cyclohexylmethyl)-1-(2,4-dimethylbenzoyl)piperidine-3-carboxamide
SMILESCc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3cccc(C(C)(C)C)c3)[C@@H]2CC2CCCCC2)c(C)c1
InChIInChI=1S/C32H44N2O2/c1-22-16-17-27(23(2)19-22)31(36)34-18-10-15-28(29(34)20-24-11-7-6-8-12-24)30(35)33-26-14-9-13-25(21-26)32(3,4)5/h9,13-14,16-17,19,21,24,28-29H,6-8,10-12,15,18,20H2,1-5H3,(H,33,35)/t28-,29-/m0/s1
InChIKeyFQNWNGZNTCOBBR-VMPREFPWSA-N
MW488.72 g/mol
LogP7.43
Rot. Bonds5

About (2S,3S)-N-(3-tert-butylphenyl)-2-(cyclohexylmethyl)-1-(2,4-dimethylbenzoyl)piperidine-3-carboxamide

(2S,3S)-N-(3-tert-butylphenyl)-2-(cyclohexylmethyl)-1-(2,4-dimethylbenzoyl)piperidine-3-carboxamide (PubChem CID 72544286) has the molecular formula C32H44N2O2 and a molecular weight of 488.72 g/mol. Its IUPAC name is (2S,3S)-N-(3-tert-butylphenyl)-2-(cyclohexylmethyl)-1-(2,4-dimethylbenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-N-(3-tert-butylphenyl)-2-(cyclohexylmethyl)-1-(2,4-dimethylbenzoyl)piperidine-3-carboxamide
PubChem CID72544286
Molecular FormulaC32H44N2O2
Molecular Weight488.72 g/mol
Exact Mass488.34
IUPAC Name(2S,3S)-N-(3-tert-butylphenyl)-2-(cyclohexylmethyl)-1-(2,4-dimethylbenzoyl)piperidine-3-carboxamide
SMILESCc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3cccc(C(C)(C)C)c3)[C@@H]2CC2CCCCC2)c(C)c1
InChIInChI=1S/C32H44N2O2/c1-22-16-17-27(23(2)19-22)31(36)34-18-10-15-28(29(34)20-24-11-7-6-8-12-24)30(35)33-26-14-9-13-25(21-26)32(3,4)5/h9,13-14,16-17,19,21,24,28-29H,6-8,10-12,15,18,20H2,1-5H3,(H,33,35)/t28-,29-/m0/s1
InChIKeyFQNWNGZNTCOBBR-VMPREFPWSA-N
XLogP7.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.72
LogP ≤ 57.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-2-butyl-N-(3-tert-butylphenyl)-1-(2,6-dimethylbenzoyl)piperidine-3-carboxamide
CID 72547393
(2R)-N-(3-tert-butylphenyl)-1-(2-methylbenzoyl)-2-phenylpiperidine-3-carboxamide
CID 149173476
(2S)-N-(3-tert-butylphenyl)-2-cyclopentyl-1-[2-[ethyl(propyl)amino]benzoyl]piperidine-3-carboxamide
CID 121381974
(2R,3S)-N-(3-tert-butylphenyl)-2-[4-(2-cyclobutylethyl)phenyl]-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-N-(3-tert-butylphenyl)-2-[4-[2,2-dimethylpropyl(methyl)amino]phenyl]-1-(2-fluoro-4-methylbenzoyl)piperidine-3-carboxamide;bis((2R,3S)-N-(3-tert-butylphenyl)-2-[4-[2,2-dimethylpropyl(methyl)amino]phenyl]-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide)
CID 158054523
(2R)-N-(3-tert-butylphenyl)-1-(2-methylbenzoyl)-2-[4-[[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]piperidine-3-carboxamide
CID 121382017
(2S,3S)-N-(3-tert-butylphenyl)-1-(2,6-dimethylbenzoyl)-2-(4-methylcyclohexa-2,4-dien-1-yl)piperidine-3-carboxamide
CID 167114421
(3S)-N-(3-tert-butylphenyl)-2-[4-(3-hydroxy-3-methylbutyl)cyclohexa-1,5-dien-1-yl]-1-(2-methylbenzoyl)piperidine-3-carboxamide
CID 139317789
N-(3-tert-butylphenyl)-1-(5-chloro-3-methylpyridine-2-carbonyl)-2-phenylpiperidine-3-carboxamide
CID 46830995
[2-(aminomethyl)azepan-1-yl]-(2,4-dimethylphenyl)methanone
CID 116639963
1-benzoyl-N-(3-tert-butylphenyl)piperidine-3-carboxamide
CID 121381993
(2,4-dimethylphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 43421573
(2R)-N-(3-tert-butylphenyl)-2-cyclohexa-1,3-dien-1-yl-1-(2,4-difluoro-6-methylbenzoyl)piperidine-3-carboxamide
CID 139317910

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-(3-tert-butylphenyl)-2-(cyclohexylmethyl)-1-(2,4-dimethylbenzoyl)piperidine-3-carboxamide?
The IUPAC name of (2S,3S)-N-(3-tert-butylphenyl)-2-(cyclohexylmethyl)-1-(2,4-dimethylbenzoyl)piperidine-3-carboxamide (CID 72544286) is (2S,3S)-N-(3-tert-butylphenyl)-2-(cyclohexylmethyl)-1-(2,4-dimethylbenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for (2S,3S)-N-(3-tert-butylphenyl)-2-(cyclohexylmethyl)-1-(2,4-dimethylbenzoyl)piperidine-3-carboxamide?
The canonical SMILES for (2S,3S)-N-(3-tert-butylphenyl)-2-(cyclohexylmethyl)-1-(2,4-dimethylbenzoyl)piperidine-3-carboxamide is Cc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3cccc(C(C)(C)C)c3)[C@@H]2CC2CCCCC2)c(C)c1.
What is the InChIKey of (2S,3S)-N-(3-tert-butylphenyl)-2-(cyclohexylmethyl)-1-(2,4-dimethylbenzoyl)piperidine-3-carboxamide?
The InChIKey is FQNWNGZNTCOBBR-VMPREFPWSA-N. The full InChI is InChI=1S/C32H44N2O2/c1-22-16-17-27(23(2)19-22)31(36)34-18-10-15-28(29(34)20-24-11-7-6-8-12-24)30(35)33-26-14-9-13-25(21-26)32(3,4)5/h9,13-14,16-17,19,21,24,28-29H,6-8,10-12,15,18,20H2,1-5H3,(H,33,35)/t28-,29-/m0/s1.
What are the key properties of (2S,3S)-N-(3-tert-butylphenyl)-2-(cyclohexylmethyl)-1-(2,4-dimethylbenzoyl)piperidine-3-carboxamide?
(2S,3S)-N-(3-tert-butylphenyl)-2-(cyclohexylmethyl)-1-(2,4-dimethylbenzoyl)piperidine-3-carboxamide has a molecular weight of 488.72 g/mol, XLogP of 7.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-(3-tert-butylphenyl)-2-(cyclohexylmethyl)-1-(2,4-dimethylbenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 72544286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).