N-[(3-chlorophenyl)methyl]piperidine-4-carboxamide

C13H17ClN2O — CID 16769351

IUPACN-[(3-chlorophenyl)methyl]piperidine-4-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)C1CCNCC1
InChIInChI=1S/C13H17ClN2O/c14-12-3-1-2-10(8-12)9-16-13(17)11-4-6-15-7-5-11/h1-3,8,11,15H,4-7,9H2,(H,16,17)
InChIKeyHWNCMQKKPULZBH-UHFFFAOYSA-N
MW252.74 g/mol
LogP1.96
Rot. Bonds3

About N-[(3-chlorophenyl)methyl]piperidine-4-carboxamide

N-[(3-chlorophenyl)methyl]piperidine-4-carboxamide (PubChem CID 16769351) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]piperidine-4-carboxamide
PubChem CID16769351
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC NameN-[(3-chlorophenyl)methyl]piperidine-4-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)C1CCNCC1
InChIInChI=1S/C13H17ClN2O/c14-12-3-1-2-10(8-12)9-16-13(17)11-4-6-15-7-5-11/h1-3,8,11,15H,4-7,9H2,(H,16,17)
InChIKeyHWNCMQKKPULZBH-UHFFFAOYSA-N
XLogP1.96
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chlorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119673574
N-benzylpiperidine-4-carboxamide
CID 3868064
N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 74889868
N-[(3-chlorophenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 112728690
N-[2-(3-chlorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 63006996
N-[(3-sulfamoylphenyl)methyl]piperidine-4-carboxamide
CID 60857668
N-[(3,4-difluorophenyl)methyl]piperidine-4-carboxamide
CID 54967962
N-[(3-chlorophenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 24603278
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 119299314
N-[[3-(ethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide
CID 119295612
N-[(3-chlorophenyl)methyl]-1-pyridin-4-ylpiperidine-4-carboxamide
CID 46384677
N-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119263502

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]piperidine-4-carboxamide (CID 16769351) is N-[(3-chlorophenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]piperidine-4-carboxamide is O=C(NCc1cccc(Cl)c1)C1CCNCC1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]piperidine-4-carboxamide?
The InChIKey is HWNCMQKKPULZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c14-12-3-1-2-10(8-12)9-16-13(17)11-4-6-15-7-5-11/h1-3,8,11,15H,4-7,9H2,(H,16,17).
What are the key properties of N-[(3-chlorophenyl)methyl]piperidine-4-carboxamide?
N-[(3-chlorophenyl)methyl]piperidine-4-carboxamide has a molecular weight of 252.74 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 16769351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).