(2R)-1-(2,6-dimethylbenzoyl)-N-[3-(2-methylpyrrolidin-1-yl)phenyl]-2-phenylpiperidine-3-carboxamide

C32H37N3O2 — CID 139317781

IUPAC(2R)-1-(2,6-dimethylbenzoyl)-N-[3-(2-methylpyrrolidin-1-yl)phenyl]-2-phenylpiperidine-3-carboxamide
SMILESCc1cccc(C)c1C(=O)N1CCCC(C(=O)Nc2cccc(N3CCCC3C)c2)[C@@H]1c1ccccc1
InChIInChI=1S/C32H37N3O2/c1-22-11-7-12-23(2)29(22)32(37)35-20-10-18-28(30(35)25-14-5-4-6-15-25)31(36)33-26-16-8-17-27(21-26)34-19-9-13-24(34)3/h4-8,11-12,14-17,21,24,28,30H,9-10,13,18-20H2,1-3H3,(H,33,36)/t24?,28?,30-/m0/s1
InChIKeyVAOHOXXMSMUZCX-GHZKHUFDSA-N
MW495.67 g/mol
LogP6.52
Rot. Bonds5

About (2R)-1-(2,6-dimethylbenzoyl)-N-[3-(2-methylpyrrolidin-1-yl)phenyl]-2-phenylpiperidine-3-carboxamide

(2R)-1-(2,6-dimethylbenzoyl)-N-[3-(2-methylpyrrolidin-1-yl)phenyl]-2-phenylpiperidine-3-carboxamide (PubChem CID 139317781) has the molecular formula C32H37N3O2 and a molecular weight of 495.67 g/mol. Its IUPAC name is (2R)-1-(2,6-dimethylbenzoyl)-N-[3-(2-methylpyrrolidin-1-yl)phenyl]-2-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(2R)-1-(2,6-dimethylbenzoyl)-N-[3-(2-methylpyrrolidin-1-yl)phenyl]-2-phenylpiperidine-3-carboxamide
PubChem CID139317781
Molecular FormulaC32H37N3O2
Molecular Weight495.67 g/mol
Exact Mass495.29
IUPAC Name(2R)-1-(2,6-dimethylbenzoyl)-N-[3-(2-methylpyrrolidin-1-yl)phenyl]-2-phenylpiperidine-3-carboxamide
SMILESCc1cccc(C)c1C(=O)N1CCCC(C(=O)Nc2cccc(N3CCCC3C)c2)[C@@H]1c1ccccc1
InChIInChI=1S/C32H37N3O2/c1-22-11-7-12-23(2)29(22)32(37)35-20-10-18-28(30(35)25-14-5-4-6-15-25)31(36)33-26-16-8-17-27(21-26)34-19-9-13-24(34)3/h4-8,11-12,14-17,21,24,28,30H,9-10,13,18-20H2,1-3H3,(H,33,36)/t24?,28?,30-/m0/s1
InChIKeyVAOHOXXMSMUZCX-GHZKHUFDSA-N
XLogP6.52
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.67
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-dimethylbenzoyl)-2-phenyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 75215965
(2R,3S)-1-(2-fluoro-6-methylbenzoyl)-2-phenyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 59376161
(2R)-N-(3-tert-butylphenyl)-1-(2-methylbenzoyl)-2-phenylpiperidine-3-carboxamide
CID 149173476
(3S)-N-(2,3-dihydro-1H-inden-5-yl)-1-(2-methylbenzoyl)-2-phenylpiperidine-3-carboxamide
CID 129074370
(2R)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(3-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide
CID 126604008
(2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2,6-dimethylbenzoyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 70826704
(3S)-N-(3-tert-butylphenyl)-1-(2-fluoro-6-methylbenzoyl)-2-(4-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide
CID 147838203
(2R)-N-(3,4-dimethylphenyl)-1-(2-fluoro-6-methylbenzoyl)-2-[4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]piperidine-3-carboxamide
CID 130231865
(2R,3S)-2-[4-(cyclohexylamino)phenyl]-1-(2,6-dimethylbenzoyl)-N-(4-methyl-3-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide
CID 118087061
(2R)-N-(3-tert-butylphenyl)-2-[4-[(cyclobutylamino)methyl]phenyl]-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide
CID 138526895
N-(3-tert-butylphenyl)-1-(5-chloro-3-methylpyridine-2-carbonyl)-2-phenylpiperidine-3-carboxamide
CID 46830995
(2R)-N-(3-tert-butylphenyl)-1-(2-fluoro-6-methylbenzoyl)-2-[4-(pyrrolidin-1-ylmethyl)phenyl]piperidine-3-carboxamide
CID 121382004

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2,6-dimethylbenzoyl)-N-[3-(2-methylpyrrolidin-1-yl)phenyl]-2-phenylpiperidine-3-carboxamide?
The IUPAC name of (2R)-1-(2,6-dimethylbenzoyl)-N-[3-(2-methylpyrrolidin-1-yl)phenyl]-2-phenylpiperidine-3-carboxamide (CID 139317781) is (2R)-1-(2,6-dimethylbenzoyl)-N-[3-(2-methylpyrrolidin-1-yl)phenyl]-2-phenylpiperidine-3-carboxamide.
What is the SMILES notation for (2R)-1-(2,6-dimethylbenzoyl)-N-[3-(2-methylpyrrolidin-1-yl)phenyl]-2-phenylpiperidine-3-carboxamide?
The canonical SMILES for (2R)-1-(2,6-dimethylbenzoyl)-N-[3-(2-methylpyrrolidin-1-yl)phenyl]-2-phenylpiperidine-3-carboxamide is Cc1cccc(C)c1C(=O)N1CCCC(C(=O)Nc2cccc(N3CCCC3C)c2)[C@@H]1c1ccccc1.
What is the InChIKey of (2R)-1-(2,6-dimethylbenzoyl)-N-[3-(2-methylpyrrolidin-1-yl)phenyl]-2-phenylpiperidine-3-carboxamide?
The InChIKey is VAOHOXXMSMUZCX-GHZKHUFDSA-N. The full InChI is InChI=1S/C32H37N3O2/c1-22-11-7-12-23(2)29(22)32(37)35-20-10-18-28(30(35)25-14-5-4-6-15-25)31(36)33-26-16-8-17-27(21-26)34-19-9-13-24(34)3/h4-8,11-12,14-17,21,24,28,30H,9-10,13,18-20H2,1-3H3,(H,33,36)/t24?,28?,30-/m0/s1.
What are the key properties of (2R)-1-(2,6-dimethylbenzoyl)-N-[3-(2-methylpyrrolidin-1-yl)phenyl]-2-phenylpiperidine-3-carboxamide?
(2R)-1-(2,6-dimethylbenzoyl)-N-[3-(2-methylpyrrolidin-1-yl)phenyl]-2-phenylpiperidine-3-carboxamide has a molecular weight of 495.67 g/mol, XLogP of 6.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2,6-dimethylbenzoyl)-N-[3-(2-methylpyrrolidin-1-yl)phenyl]-2-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 139317781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).