(3S)-1-benzyl-N-(3,4-dimethylphenyl)piperidine-3-carboxamide

C21H26N2O — CID 93490442

IUPAC(3S)-1-benzyl-N-(3,4-dimethylphenyl)piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)[C@H]2CCCN(Cc3ccccc3)C2)cc1C
InChIInChI=1S/C21H26N2O/c1-16-10-11-20(13-17(16)2)22-21(24)19-9-6-12-23(15-19)14-18-7-4-3-5-8-18/h3-5,7-8,10-11,13,19H,6,9,12,14-15H2,1-2H3,(H,22,24)/t19-/m0/s1
InChIKeyGMWZMDJDKHMIGC-IBGZPJMESA-N
MW322.45 g/mol
LogP4.15
Rot. Bonds4

About (3S)-1-benzyl-N-(3,4-dimethylphenyl)piperidine-3-carboxamide

(3S)-1-benzyl-N-(3,4-dimethylphenyl)piperidine-3-carboxamide (PubChem CID 93490442) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is (3S)-1-benzyl-N-(3,4-dimethylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-benzyl-N-(3,4-dimethylphenyl)piperidine-3-carboxamide
PubChem CID93490442
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name(3S)-1-benzyl-N-(3,4-dimethylphenyl)piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)[C@H]2CCCN(Cc3ccccc3)C2)cc1C
InChIInChI=1S/C21H26N2O/c1-16-10-11-20(13-17(16)2)22-21(24)19-9-6-12-23(15-19)14-18-7-4-3-5-8-18/h3-5,7-8,10-11,13,19H,6,9,12,14-15H2,1-2H3,(H,22,24)/t19-/m0/s1
InChIKeyGMWZMDJDKHMIGC-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-[(2,6-dichlorophenyl)methyl]-N-(3,4-dimethylphenyl)piperidine-3-carboxamide
CID 93490450
1-benzyl-N-(3,4-dichlorophenyl)piperidine-3-carboxamide
CID 43925060
1-benzyl-N-(2,5-dimethylphenyl)piperidine-3-carboxamide
CID 43919133
(3S)-1-benzyl-N-(3-chlorophenyl)piperidine-3-carboxamide
CID 93490524
1-benzyl-N-[3-(phenylcarbamoylamino)phenyl]piperidine-3-carboxamide
CID 47074842
(3R)-1-benzyl-N-(3-chlorophenyl)piperidine-3-carboxamide
CID 93490525
(3S)-1-benzyl-N-(2-methylphenyl)piperidine-3-carboxamide
CID 93490302
(3S)-1-benzyl-N-(2,6-dimethylphenyl)piperidine-3-carboxamide
CID 801756
1-benzyl-N-(4-phenoxyphenyl)piperidine-3-carboxamide
CID 43919796
(3S)-1-benzyl-N-(4-phenoxyphenyl)piperidine-3-carboxamide
CID 93490714
1-benzyl-N-[3-(ethylaminomethyl)phenyl]piperidine-3-carboxamide;dihydrochloride
CID 119438547
1-benzyl-N-[3-(cyclopropylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 60562957

Frequently Asked Questions

What is the IUPAC name of (3S)-1-benzyl-N-(3,4-dimethylphenyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-benzyl-N-(3,4-dimethylphenyl)piperidine-3-carboxamide (CID 93490442) is (3S)-1-benzyl-N-(3,4-dimethylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-benzyl-N-(3,4-dimethylphenyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-benzyl-N-(3,4-dimethylphenyl)piperidine-3-carboxamide is Cc1ccc(NC(=O)[C@H]2CCCN(Cc3ccccc3)C2)cc1C.
What is the InChIKey of (3S)-1-benzyl-N-(3,4-dimethylphenyl)piperidine-3-carboxamide?
The InChIKey is GMWZMDJDKHMIGC-IBGZPJMESA-N. The full InChI is InChI=1S/C21H26N2O/c1-16-10-11-20(13-17(16)2)22-21(24)19-9-6-12-23(15-19)14-18-7-4-3-5-8-18/h3-5,7-8,10-11,13,19H,6,9,12,14-15H2,1-2H3,(H,22,24)/t19-/m0/s1.
What are the key properties of (3S)-1-benzyl-N-(3,4-dimethylphenyl)piperidine-3-carboxamide?
(3S)-1-benzyl-N-(3,4-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-(3,4-dimethylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 93490442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).