3-cyano-N-(6-oxopiperidin-3-yl)benzamide

C13H13N3O2 — CID 62491080

IUPAC3-cyano-N-(6-oxopiperidin-3-yl)benzamide
SMILESN#Cc1cccc(C(=O)NC2CCC(=O)NC2)c1
InChIInChI=1S/C13H13N3O2/c14-7-9-2-1-3-10(6-9)13(18)16-11-4-5-12(17)15-8-11/h1-3,6,11H,4-5,8H2,(H,15,17)(H,16,18)
InChIKeyYNIWDWYXNQYROM-UHFFFAOYSA-N
MW243.27 g/mol
LogP0.57
Rot. Bonds2

About 3-cyano-N-(6-oxopiperidin-3-yl)benzamide

3-cyano-N-(6-oxopiperidin-3-yl)benzamide (PubChem CID 62491080) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 3-cyano-N-(6-oxopiperidin-3-yl)benzamide.

Molecular Properties

Compound Name3-cyano-N-(6-oxopiperidin-3-yl)benzamide
PubChem CID62491080
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name3-cyano-N-(6-oxopiperidin-3-yl)benzamide
SMILESN#Cc1cccc(C(=O)NC2CCC(=O)NC2)c1
InChIInChI=1S/C13H13N3O2/c14-7-9-2-1-3-10(6-9)13(18)16-11-4-5-12(17)15-8-11/h1-3,6,11H,4-5,8H2,(H,15,17)(H,16,18)
InChIKeyYNIWDWYXNQYROM-UHFFFAOYSA-N
XLogP0.57
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyano-N-(5-oxopyrrolidin-3-yl)benzamide
CID 71789109
3-cyano-N-[(3R)-5-oxopyrrolidin-3-yl]benzamide
CID 95985010
3-[(6-oxopiperidin-3-yl)carbamoyl]benzoic acid
CID 63662325
3-cyano-N-(2-oxoazepan-4-yl)benzamide
CID 19090425
3-methyl-N-(6-oxopiperidin-3-yl)benzamide
CID 62491778
3-cyano-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 60630273
3-cyano-N-(3,3-dimethylcyclopentyl)benzamide
CID 115880768
N-(6-oxopiperidin-3-yl)-2H-benzotriazole-5-carboxamide
CID 62489932
N-(6-oxopiperidin-3-yl)pyridine-4-carboxamide
CID 62492175
3-cyano-N-(2-oxo-4-propyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide
CID 75279124
N-(1-acetylpiperidin-4-yl)-3-cyanobenzamide
CID 46612755
3-amino-4-methyl-N-(6-oxopiperidin-3-yl)benzamide
CID 63662752

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(6-oxopiperidin-3-yl)benzamide?
The IUPAC name of 3-cyano-N-(6-oxopiperidin-3-yl)benzamide (CID 62491080) is 3-cyano-N-(6-oxopiperidin-3-yl)benzamide.
What is the SMILES notation for 3-cyano-N-(6-oxopiperidin-3-yl)benzamide?
The canonical SMILES for 3-cyano-N-(6-oxopiperidin-3-yl)benzamide is N#Cc1cccc(C(=O)NC2CCC(=O)NC2)c1.
What is the InChIKey of 3-cyano-N-(6-oxopiperidin-3-yl)benzamide?
The InChIKey is YNIWDWYXNQYROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c14-7-9-2-1-3-10(6-9)13(18)16-11-4-5-12(17)15-8-11/h1-3,6,11H,4-5,8H2,(H,15,17)(H,16,18).
What are the key properties of 3-cyano-N-(6-oxopiperidin-3-yl)benzamide?
3-cyano-N-(6-oxopiperidin-3-yl)benzamide has a molecular weight of 243.27 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(6-oxopiperidin-3-yl)benzamide is sourced from PubChem (CID 62491080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).