1-benzyl-N-(2-chlorophenyl)piperidine-3-carboxamide

C19H21ClN2O — CID 43919369

IUPAC1-benzyl-N-(2-chlorophenyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccccc1Cl)C1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C19H21ClN2O/c20-17-10-4-5-11-18(17)21-19(23)16-9-6-12-22(14-16)13-15-7-2-1-3-8-15/h1-5,7-8,10-11,16H,6,9,12-14H2,(H,21,23)
InChIKeyUOUMEQLIVVJURM-UHFFFAOYSA-N
MW328.84 g/mol
LogP4.19
Rot. Bonds4

About 1-benzyl-N-(2-chlorophenyl)piperidine-3-carboxamide

1-benzyl-N-(2-chlorophenyl)piperidine-3-carboxamide (PubChem CID 43919369) has the molecular formula C19H21ClN2O and a molecular weight of 328.84 g/mol. Its IUPAC name is 1-benzyl-N-(2-chlorophenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(2-chlorophenyl)piperidine-3-carboxamide
PubChem CID43919369
Molecular FormulaC19H21ClN2O
Molecular Weight328.84 g/mol
Exact Mass328.13
IUPAC Name1-benzyl-N-(2-chlorophenyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccccc1Cl)C1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C19H21ClN2O/c20-17-10-4-5-11-18(17)21-19(23)16-9-6-12-22(14-16)13-15-7-2-1-3-8-15/h1-5,7-8,10-11,16H,6,9,12-14H2,(H,21,23)
InChIKeyUOUMEQLIVVJURM-UHFFFAOYSA-N
XLogP4.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-(2-chlorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 93490504
1-benzyl-N-(2-hydroxyphenyl)piperidine-3-carboxamide
CID 60563080
1-[(3-bromophenyl)methyl]-N-(2-chlorophenyl)piperidine-3-carboxamide
CID 43919379
(3R)-N-(2-chlorophenyl)-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 93490507
(3S)-1-benzyl-N-(2-methylphenyl)piperidine-3-carboxamide
CID 93490302
(3S)-1-benzyl-N-(2-ethylphenyl)piperidine-3-carboxamide
CID 93490464
(3R)-1-benzyl-N-(2,3-dimethylphenyl)piperidine-3-carboxamide
CID 93490945
methyl 2-[[(3S)-1-benzylpiperidine-3-carbonyl]amino]benzoate
CID 93490753
1-[(4-chlorophenyl)methyl]-N-(2,3-dichlorophenyl)piperidine-3-carboxamide
CID 133159221
1-benzyl-N-(3,4-dichlorophenyl)piperidine-3-carboxamide
CID 43925060
(3R)-1-benzyl-N-(2-ethoxyphenyl)piperidine-3-carboxamide
CID 93490668
1-benzyl-N-(2-ethoxyphenyl)piperidine-3-carboxamide
CID 43919718

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2-chlorophenyl)piperidine-3-carboxamide?
The IUPAC name of 1-benzyl-N-(2-chlorophenyl)piperidine-3-carboxamide (CID 43919369) is 1-benzyl-N-(2-chlorophenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-(2-chlorophenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-(2-chlorophenyl)piperidine-3-carboxamide is O=C(Nc1ccccc1Cl)C1CCCN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-N-(2-chlorophenyl)piperidine-3-carboxamide?
The InChIKey is UOUMEQLIVVJURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O/c20-17-10-4-5-11-18(17)21-19(23)16-9-6-12-22(14-16)13-15-7-2-1-3-8-15/h1-5,7-8,10-11,16H,6,9,12-14H2,(H,21,23).
What are the key properties of 1-benzyl-N-(2-chlorophenyl)piperidine-3-carboxamide?
1-benzyl-N-(2-chlorophenyl)piperidine-3-carboxamide has a molecular weight of 328.84 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2-chlorophenyl)piperidine-3-carboxamide is sourced from PubChem (CID 43919369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).