3-(2-oxopiperidin-1-yl)benzoic acid

C12H13NO3 — CID 24689039

IUPAC3-(2-oxopiperidin-1-yl)benzoic acid
SMILESO=C(O)c1cccc(N2CCCCC2=O)c1
InChIInChI=1S/C12H13NO3/c14-11-6-1-2-7-13(11)10-5-3-4-9(8-10)12(15)16/h3-5,8H,1-2,6-7H2,(H,15,16)
InChIKeyIIFNLBQLNLNLDS-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.90
Rot. Bonds2

About 3-(2-oxopiperidin-1-yl)benzoic acid

3-(2-oxopiperidin-1-yl)benzoic acid (PubChem CID 24689039) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 3-(2-oxopiperidin-1-yl)benzoic acid.

Molecular Properties

Compound Name3-(2-oxopiperidin-1-yl)benzoic acid
PubChem CID24689039
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name3-(2-oxopiperidin-1-yl)benzoic acid
SMILESO=C(O)c1cccc(N2CCCCC2=O)c1
InChIInChI=1S/C12H13NO3/c14-11-6-1-2-7-13(11)10-5-3-4-9(8-10)12(15)16/h3-5,8H,1-2,6-7H2,(H,15,16)
InChIKeyIIFNLBQLNLNLDS-UHFFFAOYSA-N
XLogP1.90
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(1-hydroxyethenyl)phenyl]pyrrolidin-2-one
CID 70316561
methyl 3-(2-oxopiperidin-1-yl)benzoate
CID 10681135
3-[2-oxo-2-[3-(2-oxopiperidin-1-yl)anilino]ethyl]benzoic acid
CID 120549405
N-(2-benzamidoethyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 110309392
N-cyclooctyl-3-(2-oxopyrrolidin-1-yl)benzamide
CID 4229482
1-[3-(4-benzoylpiperidine-1-carbonyl)phenyl]pyrrolidin-2-one
CID 18145970
1-(3-hydroxyphenyl)pyrrolidin-2-one
CID 736761
N-(2-hydroxyethyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 78816876
N-(2,6-difluorophenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 93174706
4-[[[3-(2-oxopyrrolidin-1-yl)phenyl]methylamino]methyl]benzoic acid
CID 122030295
N-(3-hydroxyphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 78816654
[(1R)-2-oxocyclohexyl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 8725942

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxopiperidin-1-yl)benzoic acid?
The IUPAC name of 3-(2-oxopiperidin-1-yl)benzoic acid (CID 24689039) is 3-(2-oxopiperidin-1-yl)benzoic acid.
What is the SMILES notation for 3-(2-oxopiperidin-1-yl)benzoic acid?
The canonical SMILES for 3-(2-oxopiperidin-1-yl)benzoic acid is O=C(O)c1cccc(N2CCCCC2=O)c1.
What is the InChIKey of 3-(2-oxopiperidin-1-yl)benzoic acid?
The InChIKey is IIFNLBQLNLNLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c14-11-6-1-2-7-13(11)10-5-3-4-9(8-10)12(15)16/h3-5,8H,1-2,6-7H2,(H,15,16).
What are the key properties of 3-(2-oxopiperidin-1-yl)benzoic acid?
3-(2-oxopiperidin-1-yl)benzoic acid has a molecular weight of 219.24 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxopiperidin-1-yl)benzoic acid is sourced from PubChem (CID 24689039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).