(3R)-N-benzhydryl-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide

C26H27ClN2O — CID 38102879

IUPAC(3R)-N-benzhydryl-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)[C@@H]1CCCN(Cc2ccccc2Cl)C1
InChIInChI=1S/C26H27ClN2O/c27-24-16-8-7-14-22(24)18-29-17-9-15-23(19-29)26(30)28-25(20-10-3-1-4-11-20)21-12-5-2-6-13-21/h1-8,10-14,16,23,25H,9,15,17-19H2,(H,28,30)/t23-/m1/s1
InChIKeyWCCFJGLHGDKCRO-HSZRJFAPSA-N
MW418.97 g/mol
LogP5.46
Rot. Bonds6

About (3R)-N-benzhydryl-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide

(3R)-N-benzhydryl-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide (PubChem CID 38102879) has the molecular formula C26H27ClN2O and a molecular weight of 418.97 g/mol. Its IUPAC name is (3R)-N-benzhydryl-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-benzhydryl-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
PubChem CID38102879
Molecular FormulaC26H27ClN2O
Molecular Weight418.97 g/mol
Exact Mass418.18
IUPAC Name(3R)-N-benzhydryl-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)[C@@H]1CCCN(Cc2ccccc2Cl)C1
InChIInChI=1S/C26H27ClN2O/c27-24-16-8-7-14-22(24)18-29-17-9-15-23(19-29)26(30)28-25(20-10-3-1-4-11-20)21-12-5-2-6-13-21/h1-8,10-14,16,23,25H,9,15,17-19H2,(H,28,30)/t23-/m1/s1
InChIKeyWCCFJGLHGDKCRO-HSZRJFAPSA-N
XLogP5.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.97
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3R)-N-benzhydryl-1-[(2-chlorophenyl)methyl]piperidine-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

N-benzhydryl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43925892
N-benzhydryl-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43925897
1-[(2-chlorophenyl)methyl]-N-(3-methyl-1-phenylbutyl)piperidine-3-carboxamide
CID 46776562
(3S)-N-benzhydryl-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 92851206
(3R)-1-[(2-chlorophenyl)methyl]-N-(2,4-dimethylpentan-3-yl)piperidine-3-carboxamide
CID 93491358
(3S)-1-[(2-chlorophenyl)methyl]-N-[(2S)-4-phenylbutan-2-yl]piperidine-3-carboxamide
CID 38102289
(3S)-N-benzhydryl-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 38102948
1-[(2-chlorophenyl)methyl]-N-(2-methylpropyl)piperidine-3-carboxamide
CID 43918490
1-[(2-chlorophenyl)methyl]-N-(3,4-dichlorophenyl)piperidine-3-carboxamide
CID 43925064
1-[(2-chlorophenyl)methyl]-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 43923681
(3R)-1-benzyl-N-propan-2-ylpiperidine-3-carboxamide
CID 93490052
(3S)-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
CID 6962119

Frequently Asked Questions

What is the IUPAC name of (3R)-N-benzhydryl-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-benzhydryl-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide (CID 38102879) is (3R)-N-benzhydryl-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-benzhydryl-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-benzhydryl-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide is O=C(NC(c1ccccc1)c1ccccc1)[C@@H]1CCCN(Cc2ccccc2Cl)C1.
What is the InChIKey of (3R)-N-benzhydryl-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide?
The InChIKey is WCCFJGLHGDKCRO-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H27ClN2O/c27-24-16-8-7-14-22(24)18-29-17-9-15-23(19-29)26(30)28-25(20-10-3-1-4-11-20)21-12-5-2-6-13-21/h1-8,10-14,16,23,25H,9,15,17-19H2,(H,28,30)/t23-/m1/s1.
What are the key properties of (3R)-N-benzhydryl-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide?
(3R)-N-benzhydryl-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide has a molecular weight of 418.97 g/mol, XLogP of 5.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-benzhydryl-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 38102879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).