4-chloro-N-(2-oxopiperidin-3-yl)benzamide

C12H13ClN2O2 — CID 3531239

IUPAC4-chloro-N-(2-oxopiperidin-3-yl)benzamide
SMILESO=C(NC1CCCNC1=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H13ClN2O2/c13-9-5-3-8(4-6-9)11(16)15-10-2-1-7-14-12(10)17/h3-6,10H,1-2,7H2,(H,14,17)(H,15,16)
InChIKeyWNQCELIZXSEVTR-UHFFFAOYSA-N
MW252.70 g/mol
LogP1.35
Rot. Bonds2

About 4-chloro-N-(2-oxopiperidin-3-yl)benzamide

4-chloro-N-(2-oxopiperidin-3-yl)benzamide (PubChem CID 3531239) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is 4-chloro-N-(2-oxopiperidin-3-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(2-oxopiperidin-3-yl)benzamide
PubChem CID3531239
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC Name4-chloro-N-(2-oxopiperidin-3-yl)benzamide
SMILESO=C(NC1CCCNC1=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H13ClN2O2/c13-9-5-3-8(4-6-9)11(16)15-10-2-1-7-14-12(10)17/h3-6,10H,1-2,7H2,(H,14,17)(H,15,16)
InChIKeyWNQCELIZXSEVTR-UHFFFAOYSA-N
XLogP1.35
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[(3S)-2-oxopiperidin-3-yl]carbamoyl]benzoic acid
CID 94349391
4-chloro-3-iodo-N-(2-oxopiperidin-3-yl)benzamide
CID 47478589
N-(2-oxopiperidin-3-yl)-4-(trifluoromethoxy)benzamide
CID 47086081
2-chloro-N-(2-oxopiperidin-3-yl)benzamide
CID 47478270
4-(bromomethyl)-N-(2-oxoazepan-3-yl)benzamide
CID 102851110
4-butyl-N-[(3R)-2-oxopiperidin-3-yl]benzamide
CID 54765874
5-chloro-N-[(3R)-2-oxopiperidin-3-yl]thiophene-2-carboxamide
CID 95048356
1-N-[(3S)-2-oxopiperidin-3-yl]-2-N-[(3R)-2-oxopiperidin-3-yl]benzene-1,2-dicarboxamide
CID 26791100
4-chloro-N-[(3R)-2,6-dioxopiperidin-3-yl]benzamide
CID 2363882
1-(4-chlorophenyl)-3-(2-oxoazepan-3-yl)urea
CID 2805571
6-[(2-oxopiperidin-3-yl)carbamoyl]pyridine-3-carboxylic acid
CID 62092824
6-(methylamino)-N-(2-oxopiperidin-3-yl)pyridine-3-carboxamide
CID 62180415

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-oxopiperidin-3-yl)benzamide?
The IUPAC name of 4-chloro-N-(2-oxopiperidin-3-yl)benzamide (CID 3531239) is 4-chloro-N-(2-oxopiperidin-3-yl)benzamide.
What is the SMILES notation for 4-chloro-N-(2-oxopiperidin-3-yl)benzamide?
The canonical SMILES for 4-chloro-N-(2-oxopiperidin-3-yl)benzamide is O=C(NC1CCCNC1=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(2-oxopiperidin-3-yl)benzamide?
The InChIKey is WNQCELIZXSEVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2/c13-9-5-3-8(4-6-9)11(16)15-10-2-1-7-14-12(10)17/h3-6,10H,1-2,7H2,(H,14,17)(H,15,16).
What are the key properties of 4-chloro-N-(2-oxopiperidin-3-yl)benzamide?
4-chloro-N-(2-oxopiperidin-3-yl)benzamide has a molecular weight of 252.70 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-oxopiperidin-3-yl)benzamide is sourced from PubChem (CID 3531239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).