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

C21H26N2O — CID 93490464

IUPAC(3S)-1-benzyl-N-(2-ethylphenyl)piperidine-3-carboxamide
SMILESCCc1ccccc1NC(=O)[C@H]1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C21H26N2O/c1-2-18-11-6-7-13-20(18)22-21(24)19-12-8-14-23(16-19)15-17-9-4-3-5-10-17/h3-7,9-11,13,19H,2,8,12,14-16H2,1H3,(H,22,24)/t19-/m0/s1
InChIKeyXDOJTDOJYPRKJL-IBGZPJMESA-N
MW322.45 g/mol
LogP4.10
Rot. Bonds5

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

(3S)-1-benzyl-N-(2-ethylphenyl)piperidine-3-carboxamide (PubChem CID 93490464) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is (3S)-1-benzyl-N-(2-ethylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-benzyl-N-(2-ethylphenyl)piperidine-3-carboxamide
PubChem CID93490464
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name(3S)-1-benzyl-N-(2-ethylphenyl)piperidine-3-carboxamide
SMILESCCc1ccccc1NC(=O)[C@H]1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C21H26N2O/c1-2-18-11-6-7-13-20(18)22-21(24)19-12-8-14-23(16-19)15-17-9-4-3-5-10-17/h3-7,9-11,13,19H,2,8,12,14-16H2,1H3,(H,22,24)/t19-/m0/s1
InChIKeyXDOJTDOJYPRKJL-IBGZPJMESA-N
XLogP4.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.10
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
1-benzyl-N-(2-chlorophenyl)piperidine-3-carboxamide
CID 43919369
1-benzyl-N-(2-hydroxyphenyl)piperidine-3-carboxamide
CID 60563080
(3R)-1-benzyl-N-(2-ethoxyphenyl)piperidine-3-carboxamide
CID 93490668
1-benzyl-N-(2-ethoxyphenyl)piperidine-3-carboxamide
CID 43919718
(3R)-1-benzyl-N-(2,3-dimethylphenyl)piperidine-3-carboxamide
CID 93490945
1-[(2,4-dichlorophenyl)methyl]-N-(2-ethylphenyl)piperidine-3-carboxamide
CID 43919301
2-[4-(1-benzylpiperidine-3-carbonyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 55987825
methyl 2-[[(3S)-1-benzylpiperidine-3-carbonyl]amino]benzoate
CID 93490753
1-benzyl-N-methylpiperidine-3-carboxamide
CID 43918327
1-benzyl-N-(2,5-dimethylphenyl)piperidine-3-carboxamide
CID 43919133
(3S)-N-(2-chlorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 93490504

Frequently Asked Questions

What is the IUPAC name of (3S)-1-benzyl-N-(2-ethylphenyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-benzyl-N-(2-ethylphenyl)piperidine-3-carboxamide (CID 93490464) is (3S)-1-benzyl-N-(2-ethylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-benzyl-N-(2-ethylphenyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-benzyl-N-(2-ethylphenyl)piperidine-3-carboxamide is CCc1ccccc1NC(=O)[C@H]1CCCN(Cc2ccccc2)C1.
What is the InChIKey of (3S)-1-benzyl-N-(2-ethylphenyl)piperidine-3-carboxamide?
The InChIKey is XDOJTDOJYPRKJL-IBGZPJMESA-N. The full InChI is InChI=1S/C21H26N2O/c1-2-18-11-6-7-13-20(18)22-21(24)19-12-8-14-23(16-19)15-17-9-4-3-5-10-17/h3-7,9-11,13,19H,2,8,12,14-16H2,1H3,(H,22,24)/t19-/m0/s1.
What are the key properties of (3S)-1-benzyl-N-(2-ethylphenyl)piperidine-3-carboxamide?
(3S)-1-benzyl-N-(2-ethylphenyl)piperidine-3-carboxamide has a molecular weight of 322.45 g/mol, XLogP of 4.10, 5 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-ethylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 93490464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).