N-(3-chlorophenyl)-1-methyl-6-oxopiperidine-3-carboxamide

C13H15ClN2O2 — CID 143538535

IUPACN-(3-chlorophenyl)-1-methyl-6-oxopiperidine-3-carboxamide
SMILESCN1CC(C(=O)Nc2cccc(Cl)c2)CCC1=O
InChIInChI=1S/C13H15ClN2O2/c1-16-8-9(5-6-12(16)17)13(18)15-11-4-2-3-10(14)7-11/h2-4,7,9H,5-6,8H2,1H3,(H,15,18)
InChIKeyWMSCOHFUHXYRFC-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.15
Rot. Bonds2

About N-(3-chlorophenyl)-1-methyl-6-oxopiperidine-3-carboxamide

N-(3-chlorophenyl)-1-methyl-6-oxopiperidine-3-carboxamide (PubChem CID 143538535) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is N-(3-chlorophenyl)-1-methyl-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-1-methyl-6-oxopiperidine-3-carboxamide
PubChem CID143538535
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC NameN-(3-chlorophenyl)-1-methyl-6-oxopiperidine-3-carboxamide
SMILESCN1CC(C(=O)Nc2cccc(Cl)c2)CCC1=O
InChIInChI=1S/C13H15ClN2O2/c1-16-8-9(5-6-12(16)17)13(18)15-11-4-2-3-10(14)7-11/h2-4,7,9H,5-6,8H2,1H3,(H,15,18)
InChIKeyWMSCOHFUHXYRFC-UHFFFAOYSA-N
XLogP2.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-[(3-chlorophenyl)carbamoyl]-2-oxopiperidin-1-yl]acetic acid
CID 143538428
(3R)-N-(3-chlorophenyl)-1-methylpiperidine-3-carboxamide
CID 96590610
N-(3-chlorophenyl)-1-[2-(2-hydroxyethylamino)-2-oxoethyl]-6-oxopiperidine-3-carboxamide
CID 143538325
(3R)-N-(3-chlorophenyl)-7-oxo-1-pentan-2-ylazepane-3-carboxamide
CID 163686162
4-N-(3-chlorophenyl)-1-N-(4-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150478
(3S)-N-(3-chlorophenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 678914
(3S)-N-(3-chlorophenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 94857593
methyl 4-[(3-chlorophenyl)carbamoyl]piperidine-1-carboxylate
CID 110754183
1-butan-2-yl-N-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113182191
3-[(3-chlorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103549836
N-(3-chlorophenyl)pyrrolidine-3-carboxamide
CID 63006640
N-(3-chlorophenyl)-2-[2-(cyclopropylamino)-2-oxoethyl]-3-oxo-6,7,8,9-tetrahydro-4H-pyrido[2,1-c][1,2,4]triazine-7-carboxamide
CID 66666944

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-1-methyl-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-1-methyl-6-oxopiperidine-3-carboxamide (CID 143538535) is N-(3-chlorophenyl)-1-methyl-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-1-methyl-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-1-methyl-6-oxopiperidine-3-carboxamide is CN1CC(C(=O)Nc2cccc(Cl)c2)CCC1=O.
What is the InChIKey of N-(3-chlorophenyl)-1-methyl-6-oxopiperidine-3-carboxamide?
The InChIKey is WMSCOHFUHXYRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c1-16-8-9(5-6-12(16)17)13(18)15-11-4-2-3-10(14)7-11/h2-4,7,9H,5-6,8H2,1H3,(H,15,18).
What are the key properties of N-(3-chlorophenyl)-1-methyl-6-oxopiperidine-3-carboxamide?
N-(3-chlorophenyl)-1-methyl-6-oxopiperidine-3-carboxamide has a molecular weight of 266.73 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-1-methyl-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 143538535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).