4-chloro-3-methyl-N-(6-oxopiperidin-3-yl)benzamide

C13H15ClN2O2 — CID 113256480

IUPAC4-chloro-3-methyl-N-(6-oxopiperidin-3-yl)benzamide
SMILESCc1cc(C(=O)NC2CCC(=O)NC2)ccc1Cl
InChIInChI=1S/C13H15ClN2O2/c1-8-6-9(2-4-11(8)14)13(18)16-10-3-5-12(17)15-7-10/h2,4,6,10H,3,5,7H2,1H3,(H,15,17)(H,16,18)
InChIKeyNSGROIXEOPSWGH-UHFFFAOYSA-N
MW266.73 g/mol
LogP1.66
Rot. Bonds2

About 4-chloro-3-methyl-N-(6-oxopiperidin-3-yl)benzamide

4-chloro-3-methyl-N-(6-oxopiperidin-3-yl)benzamide (PubChem CID 113256480) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is 4-chloro-3-methyl-N-(6-oxopiperidin-3-yl)benzamide.

Molecular Properties

Compound Name4-chloro-3-methyl-N-(6-oxopiperidin-3-yl)benzamide
PubChem CID113256480
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name4-chloro-3-methyl-N-(6-oxopiperidin-3-yl)benzamide
SMILESCc1cc(C(=O)NC2CCC(=O)NC2)ccc1Cl
InChIInChI=1S/C13H15ClN2O2/c1-8-6-9(2-4-11(8)14)13(18)16-10-3-5-12(17)15-7-10/h2,4,6,10H,3,5,7H2,1H3,(H,15,17)(H,16,18)
InChIKeyNSGROIXEOPSWGH-UHFFFAOYSA-N
XLogP1.66
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 4235
Ssr-504734
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CID 24045
1-(3-Chlorobenzoyl)piperazine
CID 1074765
1-(2-Chloro-benzoyl)-piperazine
CID 2060585
N-methyl-SSR504734
CID 11704260
2,6-Dichloro-N-[1-(1-methylethyl)-4-piperidinyl]benzamide
CID 25236799
N-(2-amino-2-oxoethyl)-4-chlorobenzamide
CID 350021
1-(4-Chlorobenzoyl)-4-methylpiperazine
CID 792974
PNU-282987 free base
CID 9795278

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methyl-N-(6-oxopiperidin-3-yl)benzamide?
The IUPAC name of 4-chloro-3-methyl-N-(6-oxopiperidin-3-yl)benzamide (CID 113256480) is 4-chloro-3-methyl-N-(6-oxopiperidin-3-yl)benzamide.
What is the SMILES notation for 4-chloro-3-methyl-N-(6-oxopiperidin-3-yl)benzamide?
The canonical SMILES for 4-chloro-3-methyl-N-(6-oxopiperidin-3-yl)benzamide is Cc1cc(C(=O)NC2CCC(=O)NC2)ccc1Cl.
What is the InChIKey of 4-chloro-3-methyl-N-(6-oxopiperidin-3-yl)benzamide?
The InChIKey is NSGROIXEOPSWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c1-8-6-9(2-4-11(8)14)13(18)16-10-3-5-12(17)15-7-10/h2,4,6,10H,3,5,7H2,1H3,(H,15,17)(H,16,18).
What are the key properties of 4-chloro-3-methyl-N-(6-oxopiperidin-3-yl)benzamide?
4-chloro-3-methyl-N-(6-oxopiperidin-3-yl)benzamide has a molecular weight of 266.73 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methyl-N-(6-oxopiperidin-3-yl)benzamide is sourced from PubChem (CID 113256480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).