N-[(3-chlorophenyl)methyl]-6-oxopiperidine-3-carboxamide

C13H15ClN2O2 — CID 112728690

IUPACN-[(3-chlorophenyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESO=C1CCC(C(=O)NCc2cccc(Cl)c2)CN1
InChIInChI=1S/C13H15ClN2O2/c14-11-3-1-2-9(6-11)7-16-13(18)10-4-5-12(17)15-8-10/h1-3,6,10H,4-5,7-8H2,(H,15,17)(H,16,18)
InChIKeyUHGCQTYJJNSPMF-UHFFFAOYSA-N
MW266.73 g/mol
LogP1.48
Rot. Bonds3

About N-[(3-chlorophenyl)methyl]-6-oxopiperidine-3-carboxamide

N-[(3-chlorophenyl)methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 112728690) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-6-oxopiperidine-3-carboxamide
PubChem CID112728690
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC NameN-[(3-chlorophenyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESO=C1CCC(C(=O)NCc2cccc(Cl)c2)CN1
InChIInChI=1S/C13H15ClN2O2/c14-11-3-1-2-9(6-11)7-16-13(18)10-4-5-12(17)15-8-10/h1-3,6,10H,4-5,7-8H2,(H,15,17)(H,16,18)
InChIKeyUHGCQTYJJNSPMF-UHFFFAOYSA-N
XLogP1.48
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 51.48
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-[(3-chlorophenyl)methyl]piperidine-4-carboxamide
CID 16769351
N-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 78981486
(3R)-N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-6-oxopiperidine-3-carboxamide
CID 95044599
N-[1-(3-chlorophenyl)propyl]-6-oxopiperidine-3-carboxamide
CID 112728875
N-[(6-methyl-3-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide
CID 113223600
(3R)-N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide
CID 94170855
(3R)-N-[(3-chlorophenyl)methyl]-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide
CID 26330034
6-oxo-N-(1H-pyrazol-5-ylmethyl)piperidine-3-carboxamide
CID 112731393
N-[(3-chlorophenyl)methyl]-1-pyridin-4-ylpiperidine-4-carboxamide
CID 46384677
(3S)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-6-oxopiperidine-3-carboxamide
CID 126443586
N-[2-(3-chlorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 63006996

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-6-oxopiperidine-3-carboxamide (CID 112728690) is N-[(3-chlorophenyl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-6-oxopiperidine-3-carboxamide is O=C1CCC(C(=O)NCc2cccc(Cl)c2)CN1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is UHGCQTYJJNSPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c14-11-3-1-2-9(6-11)7-16-13(18)10-4-5-12(17)15-8-10/h1-3,6,10H,4-5,7-8H2,(H,15,17)(H,16,18).
What are the key properties of N-[(3-chlorophenyl)methyl]-6-oxopiperidine-3-carboxamide?
N-[(3-chlorophenyl)methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 266.73 g/mol, XLogP of 1.48, 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]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 112728690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).