(3S)-1-benzyl-N-(2,6-dimethylphenyl)piperidine-3-carboxamide

C21H26N2O — CID 801756

IUPAC(3S)-1-benzyl-N-(2,6-dimethylphenyl)piperidine-3-carboxamide
SMILESCc1cccc(C)c1NC(=O)[C@H]1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C21H26N2O/c1-16-8-6-9-17(2)20(16)22-21(24)19-12-7-13-23(15-19)14-18-10-4-3-5-11-18/h3-6,8-11,19H,7,12-15H2,1-2H3,(H,22,24)/t19-/m0/s1
InChIKeyUUDLUCKIEGFRRV-IBGZPJMESA-N
MW322.45 g/mol
LogP4.15
Rot. Bonds4

About (3S)-1-benzyl-N-(2,6-dimethylphenyl)piperidine-3-carboxamide

(3S)-1-benzyl-N-(2,6-dimethylphenyl)piperidine-3-carboxamide (PubChem CID 801756) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is (3S)-1-benzyl-N-(2,6-dimethylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-benzyl-N-(2,6-dimethylphenyl)piperidine-3-carboxamide
PubChem CID801756
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name(3S)-1-benzyl-N-(2,6-dimethylphenyl)piperidine-3-carboxamide
SMILESCc1cccc(C)c1NC(=O)[C@H]1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C21H26N2O/c1-16-8-6-9-17(2)20(16)22-21(24)19-12-7-13-23(15-19)14-18-10-4-3-5-11-18/h3-6,8-11,19H,7,12-15H2,1-2H3,(H,22,24)/t19-/m0/s1
InChIKeyUUDLUCKIEGFRRV-IBGZPJMESA-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-benzyl-N-(2,3-dimethylphenyl)piperidine-3-carboxamide
CID 93490945
(3R)-N-(2-ethyl-6-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 93492077
(3S)-1-benzyl-N-(3,4-dimethylphenyl)piperidine-3-carboxamide
CID 93490442
1-benzyl-N-methylpiperidine-3-carboxamide
CID 43918327
1-benzyl-N-(2,5-dimethylphenyl)piperidine-3-carboxamide
CID 43919133
1-[(2,4-dichlorophenyl)methyl]-N-(2,6-dimethylphenyl)piperidine-3-carboxamide
CID 43919181
1-benzyl-N-(2-hydroxyphenyl)piperidine-3-carboxamide
CID 60563080
1-benzyl-N-(2-chlorophenyl)piperidine-3-carboxamide
CID 43919369
(3R)-1-benzyl-N-propan-2-ylpiperidine-3-carboxamide
CID 93490052
(3S)-1-benzyl-N-(2-ethylphenyl)piperidine-3-carboxamide
CID 93490464
(3R)-1-benzyl-N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]piperidine-3-carboxamide
CID 124882392

Frequently Asked Questions

What is the IUPAC name of (3S)-1-benzyl-N-(2,6-dimethylphenyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-benzyl-N-(2,6-dimethylphenyl)piperidine-3-carboxamide (CID 801756) is (3S)-1-benzyl-N-(2,6-dimethylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-benzyl-N-(2,6-dimethylphenyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-benzyl-N-(2,6-dimethylphenyl)piperidine-3-carboxamide is Cc1cccc(C)c1NC(=O)[C@H]1CCCN(Cc2ccccc2)C1.
What is the InChIKey of (3S)-1-benzyl-N-(2,6-dimethylphenyl)piperidine-3-carboxamide?
The InChIKey is UUDLUCKIEGFRRV-IBGZPJMESA-N. The full InChI is InChI=1S/C21H26N2O/c1-16-8-6-9-17(2)20(16)22-21(24)19-12-7-13-23(15-19)14-18-10-4-3-5-11-18/h3-6,8-11,19H,7,12-15H2,1-2H3,(H,22,24)/t19-/m0/s1.
What are the key properties of (3S)-1-benzyl-N-(2,6-dimethylphenyl)piperidine-3-carboxamide?
(3S)-1-benzyl-N-(2,6-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 (3S)-1-benzyl-N-(2,6-dimethylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 801756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).