(3S)-N-(2,3-dihydro-1H-inden-5-yl)-1-(2-methylbenzoyl)-2-phenylpiperidine-3-carboxamide

C29H30N2O2 — CID 129074370

IUPAC(3S)-N-(2,3-dihydro-1H-inden-5-yl)-1-(2-methylbenzoyl)-2-phenylpiperidine-3-carboxamide
SMILESCc1ccccc1C(=O)N1CCC[C@H](C(=O)Nc2ccc3c(c2)CCC3)C1c1ccccc1
InChIInChI=1S/C29H30N2O2/c1-20-9-5-6-14-25(20)29(33)31-18-8-15-26(27(31)22-10-3-2-4-11-22)28(32)30-24-17-16-21-12-7-13-23(21)19-24/h2-6,9-11,14,16-17,19,26-27H,7-8,12-13,15,18H2,1H3,(H,30,32)/t26-,27?/m0/s1
InChIKeyYYPWHIPETSCCJN-QBHOUYDASA-N
MW438.57 g/mol
LogP5.72
Rot. Bonds4

About (3S)-N-(2,3-dihydro-1H-inden-5-yl)-1-(2-methylbenzoyl)-2-phenylpiperidine-3-carboxamide

(3S)-N-(2,3-dihydro-1H-inden-5-yl)-1-(2-methylbenzoyl)-2-phenylpiperidine-3-carboxamide (PubChem CID 129074370) has the molecular formula C29H30N2O2 and a molecular weight of 438.57 g/mol. Its IUPAC name is (3S)-N-(2,3-dihydro-1H-inden-5-yl)-1-(2-methylbenzoyl)-2-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2,3-dihydro-1H-inden-5-yl)-1-(2-methylbenzoyl)-2-phenylpiperidine-3-carboxamide
PubChem CID129074370
Molecular FormulaC29H30N2O2
Molecular Weight438.57 g/mol
Exact Mass438.23
IUPAC Name(3S)-N-(2,3-dihydro-1H-inden-5-yl)-1-(2-methylbenzoyl)-2-phenylpiperidine-3-carboxamide
SMILESCc1ccccc1C(=O)N1CCC[C@H](C(=O)Nc2ccc3c(c2)CCC3)C1c1ccccc1
InChIInChI=1S/C29H30N2O2/c1-20-9-5-6-14-25(20)29(33)31-18-8-15-26(27(31)22-10-3-2-4-11-22)28(32)30-24-17-16-21-12-7-13-23(21)19-24/h2-6,9-11,14,16-17,19,26-27H,7-8,12-13,15,18H2,1H3,(H,30,32)/t26-,27?/m0/s1
InChIKeyYYPWHIPETSCCJN-QBHOUYDASA-N
XLogP5.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.57
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3S)-N-(2,3-dihydro-1H-inden-5-yl)-1-(2-methylbenzoyl)-2-phenylpiperidine-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

(2R)-N-(3-tert-butylphenyl)-1-(2-methylbenzoyl)-2-phenylpiperidine-3-carboxamide
CID 149173476
(3S)-N-(3-chloro-4-methylphenyl)-2-[4-(cyclopentylamino)phenyl]-1-(2-methylbenzoyl)piperidine-3-carboxamide
CID 126669759
1-(2,6-dimethylbenzoyl)-2-phenyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 75215965
(2R)-1-(2,6-dimethylbenzoyl)-N-[3-(2-methylpyrrolidin-1-yl)phenyl]-2-phenylpiperidine-3-carboxamide
CID 139317781
(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-[4-[[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]piperidine-3-carboxamide
CID 121382017
N-(3-chloro-4-methylphenyl)-2-[4-(cyclopentylamino)phenyl]-1-[(Z)-1-(2-methylphenyl)prop-1-enyl]piperidine-3-carboxamide
CID 139317546
N-(3-tert-butylphenyl)-1-(5-chloro-3-methylpyridine-2-carbonyl)-2-phenylpiperidine-3-carboxamide
CID 46830995
(2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2,6-dimethylbenzoyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 70826704
2-cyclohexyl-1-(2,6-difluorobenzoyl)-N-(2,3-dihydro-1H-inden-5-yl)piperidine-3-carboxamide
CID 77425286
ethyl (3S)-1-(2-methylbenzoyl)-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]piperidine-3-carboxylate
CID 67463389
(2S)-1-(2,3-dihydro-1H-inden-5-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61185659

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2,3-dihydro-1H-inden-5-yl)-1-(2-methylbenzoyl)-2-phenylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-(2,3-dihydro-1H-inden-5-yl)-1-(2-methylbenzoyl)-2-phenylpiperidine-3-carboxamide (CID 129074370) is (3S)-N-(2,3-dihydro-1H-inden-5-yl)-1-(2-methylbenzoyl)-2-phenylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(2,3-dihydro-1H-inden-5-yl)-1-(2-methylbenzoyl)-2-phenylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(2,3-dihydro-1H-inden-5-yl)-1-(2-methylbenzoyl)-2-phenylpiperidine-3-carboxamide is Cc1ccccc1C(=O)N1CCC[C@H](C(=O)Nc2ccc3c(c2)CCC3)C1c1ccccc1.
What is the InChIKey of (3S)-N-(2,3-dihydro-1H-inden-5-yl)-1-(2-methylbenzoyl)-2-phenylpiperidine-3-carboxamide?
The InChIKey is YYPWHIPETSCCJN-QBHOUYDASA-N. The full InChI is InChI=1S/C29H30N2O2/c1-20-9-5-6-14-25(20)29(33)31-18-8-15-26(27(31)22-10-3-2-4-11-22)28(32)30-24-17-16-21-12-7-13-23(21)19-24/h2-6,9-11,14,16-17,19,26-27H,7-8,12-13,15,18H2,1H3,(H,30,32)/t26-,27?/m0/s1.
What are the key properties of (3S)-N-(2,3-dihydro-1H-inden-5-yl)-1-(2-methylbenzoyl)-2-phenylpiperidine-3-carboxamide?
(3S)-N-(2,3-dihydro-1H-inden-5-yl)-1-(2-methylbenzoyl)-2-phenylpiperidine-3-carboxamide has a molecular weight of 438.57 g/mol, XLogP of 5.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2,3-dihydro-1H-inden-5-yl)-1-(2-methylbenzoyl)-2-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 129074370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).