(3S)-1-benzyl-N-(2-methylphenyl)piperidine-3-carboxamide

C20H24N2O — CID 93490302

IUPAC(3S)-1-benzyl-N-(2-methylphenyl)piperidine-3-carboxamide
SMILESCc1ccccc1NC(=O)[C@H]1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C20H24N2O/c1-16-8-5-6-12-19(16)21-20(23)18-11-7-13-22(15-18)14-17-9-3-2-4-10-17/h2-6,8-10,12,18H,7,11,13-15H2,1H3,(H,21,23)/t18-/m0/s1
InChIKeyNIMNESAALLKLFC-SFHVURJKSA-N
MW308.43 g/mol
LogP3.85
Rot. Bonds4

About (3S)-1-benzyl-N-(2-methylphenyl)piperidine-3-carboxamide

(3S)-1-benzyl-N-(2-methylphenyl)piperidine-3-carboxamide (PubChem CID 93490302) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is (3S)-1-benzyl-N-(2-methylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-benzyl-N-(2-methylphenyl)piperidine-3-carboxamide
PubChem CID93490302
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name(3S)-1-benzyl-N-(2-methylphenyl)piperidine-3-carboxamide
SMILESCc1ccccc1NC(=O)[C@H]1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C20H24N2O/c1-16-8-5-6-12-19(16)21-20(23)18-11-7-13-22(15-18)14-17-9-3-2-4-10-17/h2-6,8-10,12,18H,7,11,13-15H2,1H3,(H,21,23)/t18-/m0/s1
InChIKeyNIMNESAALLKLFC-SFHVURJKSA-N
XLogP3.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-benzyl-N-(2,3-dimethylphenyl)piperidine-3-carboxamide
CID 93490945
1-benzyl-N-(2,5-dimethylphenyl)piperidine-3-carboxamide
CID 43919133
(3S)-1-benzyl-N-(2,6-dimethylphenyl)piperidine-3-carboxamide
CID 801756
1-benzyl-N-(2-chlorophenyl)piperidine-3-carboxamide
CID 43919369
1-benzyl-N-(2-hydroxyphenyl)piperidine-3-carboxamide
CID 60563080
(3S)-1-benzyl-N-(2-ethylphenyl)piperidine-3-carboxamide
CID 93490464
methyl 2-[[(3S)-1-benzylpiperidine-3-carbonyl]amino]benzoate
CID 93490753
(3R)-1-benzyl-N-(1,4-dimethyl-6-oxo-3-pyridinyl)piperidine-3-carboxamide
CID 124507659
(3R)-1-[(4-chlorophenyl)methyl]-N-(2,3-dimethylphenyl)piperidine-3-carboxamide
CID 93490949
(3R)-1-benzyl-N-(2-ethoxyphenyl)piperidine-3-carboxamide
CID 93490668
1-benzyl-N-(2-ethoxyphenyl)piperidine-3-carboxamide
CID 43919718
(3S)-1-benzyl-N-(3,4-dimethylphenyl)piperidine-3-carboxamide
CID 93490442

Frequently Asked Questions

What is the IUPAC name of (3S)-1-benzyl-N-(2-methylphenyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-benzyl-N-(2-methylphenyl)piperidine-3-carboxamide (CID 93490302) is (3S)-1-benzyl-N-(2-methylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-benzyl-N-(2-methylphenyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-benzyl-N-(2-methylphenyl)piperidine-3-carboxamide is Cc1ccccc1NC(=O)[C@H]1CCCN(Cc2ccccc2)C1.
What is the InChIKey of (3S)-1-benzyl-N-(2-methylphenyl)piperidine-3-carboxamide?
The InChIKey is NIMNESAALLKLFC-SFHVURJKSA-N. The full InChI is InChI=1S/C20H24N2O/c1-16-8-5-6-12-19(16)21-20(23)18-11-7-13-22(15-18)14-17-9-3-2-4-10-17/h2-6,8-10,12,18H,7,11,13-15H2,1H3,(H,21,23)/t18-/m0/s1.
What are the key properties of (3S)-1-benzyl-N-(2-methylphenyl)piperidine-3-carboxamide?
(3S)-1-benzyl-N-(2-methylphenyl)piperidine-3-carboxamide has a molecular weight of 308.43 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-benzyl-N-(2-methylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 93490302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).