(3R)-1-[(2-chlorophenyl)methyl]-N-(2,4-dimethylpentan-3-yl)piperidine-3-carboxamide

C20H31ClN2O — CID 93491358

IUPAC(3R)-1-[(2-chlorophenyl)methyl]-N-(2,4-dimethylpentan-3-yl)piperidine-3-carboxamide
SMILESCC(C)C(NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1)C(C)C
InChIInChI=1S/C20H31ClN2O/c1-14(2)19(15(3)4)22-20(24)17-9-7-11-23(13-17)12-16-8-5-6-10-18(16)21/h5-6,8,10,14-15,17,19H,7,9,11-13H2,1-4H3,(H,22,24)/t17-/m1/s1
InChIKeySWVVNNVDRQZJMZ-QGZVFWFLSA-N
MW350.93 g/mol
LogP4.35
Rot. Bonds6

About (3R)-1-[(2-chlorophenyl)methyl]-N-(2,4-dimethylpentan-3-yl)piperidine-3-carboxamide

(3R)-1-[(2-chlorophenyl)methyl]-N-(2,4-dimethylpentan-3-yl)piperidine-3-carboxamide (PubChem CID 93491358) has the molecular formula C20H31ClN2O and a molecular weight of 350.93 g/mol. Its IUPAC name is (3R)-1-[(2-chlorophenyl)methyl]-N-(2,4-dimethylpentan-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(2-chlorophenyl)methyl]-N-(2,4-dimethylpentan-3-yl)piperidine-3-carboxamide
PubChem CID93491358
Molecular FormulaC20H31ClN2O
Molecular Weight350.93 g/mol
Exact Mass350.21
IUPAC Name(3R)-1-[(2-chlorophenyl)methyl]-N-(2,4-dimethylpentan-3-yl)piperidine-3-carboxamide
SMILESCC(C)C(NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1)C(C)C
InChIInChI=1S/C20H31ClN2O/c1-14(2)19(15(3)4)22-20(24)17-9-7-11-23(13-17)12-16-8-5-6-10-18(16)21/h5-6,8,10,14-15,17,19H,7,9,11-13H2,1-4H3,(H,22,24)/t17-/m1/s1
InChIKeySWVVNNVDRQZJMZ-QGZVFWFLSA-N
XLogP4.35
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.93
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3R)-1-[(2-chlorophenyl)methyl]-N-(2,4-dimethylpentan-3-yl)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

(3R)-N-benzhydryl-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
CID 38102879
(3S)-1-[(2-chlorophenyl)methyl]-N-[(2S)-4-phenylbutan-2-yl]piperidine-3-carboxamide
CID 38102289
1-[(2-chlorophenyl)methyl]-N-(2-methylpropyl)piperidine-3-carboxamide
CID 43918490
1-[(2-chlorophenyl)methyl]-N-(3-methyl-1-phenylbutyl)piperidine-3-carboxamide
CID 46776562
1-[(2-chloro-6-fluorophenyl)methyl]-N-(2,4-dimethylpentan-3-yl)piperidine-3-carboxamide
CID 43921338
(3R)-1-[(2,6-dichlorophenyl)methyl]-N-propan-2-ylpiperidine-3-carboxamide
CID 93490056
(3R)-1-benzyl-N-propan-2-ylpiperidine-3-carboxamide
CID 93490052
N-[(2-chlorophenyl)methyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 43924153
1-[(2-chlorophenyl)methyl]-N-[1-(4-methoxyphenyl)-3-methylbutyl]piperidine-3-carboxamide
CID 46776614
(3S)-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
CID 6962119
(3R)-1-[(2-chlorophenyl)methyl]-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]piperidine-3-carboxamide
CID 100662416
(3R)-N-[(2S)-butan-2-yl]-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 93490067

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2-chlorophenyl)methyl]-N-(2,4-dimethylpentan-3-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[(2-chlorophenyl)methyl]-N-(2,4-dimethylpentan-3-yl)piperidine-3-carboxamide (CID 93491358) is (3R)-1-[(2-chlorophenyl)methyl]-N-(2,4-dimethylpentan-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(2-chlorophenyl)methyl]-N-(2,4-dimethylpentan-3-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(2-chlorophenyl)methyl]-N-(2,4-dimethylpentan-3-yl)piperidine-3-carboxamide is CC(C)C(NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1)C(C)C.
What is the InChIKey of (3R)-1-[(2-chlorophenyl)methyl]-N-(2,4-dimethylpentan-3-yl)piperidine-3-carboxamide?
The InChIKey is SWVVNNVDRQZJMZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H31ClN2O/c1-14(2)19(15(3)4)22-20(24)17-9-7-11-23(13-17)12-16-8-5-6-10-18(16)21/h5-6,8,10,14-15,17,19H,7,9,11-13H2,1-4H3,(H,22,24)/t17-/m1/s1.
What are the key properties of (3R)-1-[(2-chlorophenyl)methyl]-N-(2,4-dimethylpentan-3-yl)piperidine-3-carboxamide?
(3R)-1-[(2-chlorophenyl)methyl]-N-(2,4-dimethylpentan-3-yl)piperidine-3-carboxamide has a molecular weight of 350.93 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2-chlorophenyl)methyl]-N-(2,4-dimethylpentan-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 93491358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).