(3R)-1-benzyl-N-(2,3-dimethylphenyl)piperidine-3-carboxamide

C21H26N2O — CID 93490945

IUPAC(3R)-1-benzyl-N-(2,3-dimethylphenyl)piperidine-3-carboxamide
SMILESCc1cccc(NC(=O)[C@@H]2CCCN(Cc3ccccc3)C2)c1C
InChIInChI=1S/C21H26N2O/c1-16-8-6-12-20(17(16)2)22-21(24)19-11-7-13-23(15-19)14-18-9-4-3-5-10-18/h3-6,8-10,12,19H,7,11,13-15H2,1-2H3,(H,22,24)/t19-/m1/s1
InChIKeyASNPWLLFRKXZOX-LJQANCHMSA-N
MW322.45 g/mol
LogP4.15
Rot. Bonds4

About (3R)-1-benzyl-N-(2,3-dimethylphenyl)piperidine-3-carboxamide

(3R)-1-benzyl-N-(2,3-dimethylphenyl)piperidine-3-carboxamide (PubChem CID 93490945) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is (3R)-1-benzyl-N-(2,3-dimethylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-benzyl-N-(2,3-dimethylphenyl)piperidine-3-carboxamide
PubChem CID93490945
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name(3R)-1-benzyl-N-(2,3-dimethylphenyl)piperidine-3-carboxamide
SMILESCc1cccc(NC(=O)[C@@H]2CCCN(Cc3ccccc3)C2)c1C
InChIInChI=1S/C21H26N2O/c1-16-8-6-12-20(17(16)2)22-21(24)19-11-7-13-23(15-19)14-18-9-4-3-5-10-18/h3-6,8-10,12,19H,7,11,13-15H2,1-2H3,(H,22,24)/t19-/m1/s1
InChIKeyASNPWLLFRKXZOX-LJQANCHMSA-N
XLogP4.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-benzyl-N-(2-methylphenyl)piperidine-3-carboxamide
CID 93490302
(3R)-1-[(4-chlorophenyl)methyl]-N-(2,3-dimethylphenyl)piperidine-3-carboxamide
CID 93490949
1-[(2-chlorophenyl)methyl]-N-(2,3-dimethylphenyl)piperidine-3-carboxamide
CID 43920320
(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
1-benzyl-N-(2,5-dimethylphenyl)piperidine-3-carboxamide
CID 43919133
N-(3-chloro-2-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43921645
1-[(3-bromophenyl)methyl]-N-(3-chloro-2-methylphenyl)piperidine-3-carboxamide
CID 43921642
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

Frequently Asked Questions

What is the IUPAC name of (3R)-1-benzyl-N-(2,3-dimethylphenyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-benzyl-N-(2,3-dimethylphenyl)piperidine-3-carboxamide (CID 93490945) is (3R)-1-benzyl-N-(2,3-dimethylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-benzyl-N-(2,3-dimethylphenyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-benzyl-N-(2,3-dimethylphenyl)piperidine-3-carboxamide is Cc1cccc(NC(=O)[C@@H]2CCCN(Cc3ccccc3)C2)c1C.
What is the InChIKey of (3R)-1-benzyl-N-(2,3-dimethylphenyl)piperidine-3-carboxamide?
The InChIKey is ASNPWLLFRKXZOX-LJQANCHMSA-N. The full InChI is InChI=1S/C21H26N2O/c1-16-8-6-12-20(17(16)2)22-21(24)19-11-7-13-23(15-19)14-18-9-4-3-5-10-18/h3-6,8-10,12,19H,7,11,13-15H2,1-2H3,(H,22,24)/t19-/m1/s1.
What are the key properties of (3R)-1-benzyl-N-(2,3-dimethylphenyl)piperidine-3-carboxamide?
(3R)-1-benzyl-N-(2,3-dimethylphenyl)piperidine-3-carboxamide has a molecular weight of 322.45 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-benzyl-N-(2,3-dimethylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 93490945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).