3-[(6-oxopiperidin-3-yl)carbamoyl]benzoic acid

C13H14N2O4 — CID 63662325

IUPAC3-[(6-oxopiperidin-3-yl)carbamoyl]benzoic acid
SMILESO=C1CCC(NC(=O)c2cccc(C(=O)O)c2)CN1
InChIInChI=1S/C13H14N2O4/c16-11-5-4-10(7-14-11)15-12(17)8-2-1-3-9(6-8)13(18)19/h1-3,6,10H,4-5,7H2,(H,14,16)(H,15,17)(H,18,19)
InChIKeyNQNCAZNGAWSWTA-UHFFFAOYSA-N
MW262.26 g/mol
LogP0.39
Rot. Bonds3

About 3-[(6-oxopiperidin-3-yl)carbamoyl]benzoic acid

3-[(6-oxopiperidin-3-yl)carbamoyl]benzoic acid (PubChem CID 63662325) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is 3-[(6-oxopiperidin-3-yl)carbamoyl]benzoic acid.

Molecular Properties

Compound Name3-[(6-oxopiperidin-3-yl)carbamoyl]benzoic acid
PubChem CID63662325
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name3-[(6-oxopiperidin-3-yl)carbamoyl]benzoic acid
SMILESO=C1CCC(NC(=O)c2cccc(C(=O)O)c2)CN1
InChIInChI=1S/C13H14N2O4/c16-11-5-4-10(7-14-11)15-12(17)8-2-1-3-9(6-8)13(18)19/h1-3,6,10H,4-5,7H2,(H,14,16)(H,15,17)(H,18,19)
InChIKeyNQNCAZNGAWSWTA-UHFFFAOYSA-N
XLogP0.39
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-oxopyrrolidin-3-yl)carbamoyl]benzoic acid
CID 114156972
3-methyl-N-(6-oxopiperidin-3-yl)benzamide
CID 62491778
3-cyano-N-(6-oxopiperidin-3-yl)benzamide
CID 62491080
N-(6-oxopiperidin-3-yl)-2H-benzotriazole-5-carboxamide
CID 62489932
N-(6-oxopiperidin-3-yl)pyridine-4-carboxamide
CID 62492175
3-amino-4-methyl-N-(6-oxopiperidin-3-yl)benzamide
CID 63662752
3-chloro-4-fluoro-N-(6-oxopiperidin-3-yl)benzamide
CID 81434409
6-[(6-oxopiperidin-3-yl)carbamoyl]pyridine-3-carboxylic acid
CID 63661979
4-chloro-3-methyl-N-(6-oxopiperidin-3-yl)benzamide
CID 113256480
4-methyl-3-[(6-oxopiperidin-3-yl)carbamoylamino]benzoic acid
CID 63663220
3,6-dimethyl-2-[(6-oxopiperidin-3-yl)carbamoyl]benzoic acid
CID 103429074
2,6-dichloro-N-(6-oxopiperidin-3-yl)benzamide
CID 55246624

Frequently Asked Questions

What is the IUPAC name of 3-[(6-oxopiperidin-3-yl)carbamoyl]benzoic acid?
The IUPAC name of 3-[(6-oxopiperidin-3-yl)carbamoyl]benzoic acid (CID 63662325) is 3-[(6-oxopiperidin-3-yl)carbamoyl]benzoic acid.
What is the SMILES notation for 3-[(6-oxopiperidin-3-yl)carbamoyl]benzoic acid?
The canonical SMILES for 3-[(6-oxopiperidin-3-yl)carbamoyl]benzoic acid is O=C1CCC(NC(=O)c2cccc(C(=O)O)c2)CN1.
What is the InChIKey of 3-[(6-oxopiperidin-3-yl)carbamoyl]benzoic acid?
The InChIKey is NQNCAZNGAWSWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c16-11-5-4-10(7-14-11)15-12(17)8-2-1-3-9(6-8)13(18)19/h1-3,6,10H,4-5,7H2,(H,14,16)(H,15,17)(H,18,19).
What are the key properties of 3-[(6-oxopiperidin-3-yl)carbamoyl]benzoic acid?
3-[(6-oxopiperidin-3-yl)carbamoyl]benzoic acid has a molecular weight of 262.26 g/mol, XLogP of 0.39, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-oxopiperidin-3-yl)carbamoyl]benzoic acid is sourced from PubChem (CID 63662325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).