4-(4-oxopiperidine-1-carbonyl)benzoic acid

C13H13NO4 — CID 2757374

IUPAC4-(4-oxopiperidine-1-carbonyl)benzoic acid
SMILESO=C1CCN(C(=O)c2ccc(C(=O)O)cc2)CC1
InChIInChI=1S/C13H13NO4/c15-11-5-7-14(8-6-11)12(16)9-1-3-10(4-2-9)13(17)18/h1-4H,5-8H2,(H,17,18)
InChIKeyXXONJRIUBHNYLZ-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.19
Rot. Bonds2

About 4-(4-oxopiperidine-1-carbonyl)benzoic acid

4-(4-oxopiperidine-1-carbonyl)benzoic acid (PubChem CID 2757374) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is 4-(4-oxopiperidine-1-carbonyl)benzoic acid.

Molecular Properties

Compound Name4-(4-oxopiperidine-1-carbonyl)benzoic acid
PubChem CID2757374
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC Name4-(4-oxopiperidine-1-carbonyl)benzoic acid
SMILESO=C1CCN(C(=O)c2ccc(C(=O)O)cc2)CC1
InChIInChI=1S/C13H13NO4/c15-11-5-7-14(8-6-11)12(16)9-1-3-10(4-2-9)13(17)18/h1-4H,5-8H2,(H,17,18)
InChIKeyXXONJRIUBHNYLZ-UHFFFAOYSA-N
XLogP1.19
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(pyrrolidine-1-carbonyl)benzoic acid
CID 10932939
N,N-dimethyl-4-(4-oxopiperidine-1-carbonyl)benzenesulfonamide
CID 2556261
4-(4-methylpiperazine-1-carbonyl)benzoic acid;hydrochloride
CID 142705499
1-[1-(4-bromobenzoyl)piperidine-4-carbonyl]piperidin-4-one
CID 127269784
1-(4-bromo-3-chlorobenzoyl)piperidin-4-one
CID 81295410
1-(4-chloro-3-iodobenzoyl)piperidin-4-one
CID 67568903
1-[3-(trifluoromethyl)benzoyl]piperidin-4-one
CID 3815225
4-(4-aminopiperidine-1-carbonyl)benzoic acid;hydrochloride
CID 178200611
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
ethene;1-(3-fluoro-4-methylbenzoyl)piperidin-4-one
CID 67568721
benzoic acid;1-methylpiperidin-4-one
CID 155024090
[3-(4-oxopiperidine-1-carbonyl)phenyl]boronic acid
CID 44886949

Frequently Asked Questions

What is the IUPAC name of 4-(4-oxopiperidine-1-carbonyl)benzoic acid?
The IUPAC name of 4-(4-oxopiperidine-1-carbonyl)benzoic acid (CID 2757374) is 4-(4-oxopiperidine-1-carbonyl)benzoic acid.
What is the SMILES notation for 4-(4-oxopiperidine-1-carbonyl)benzoic acid?
The canonical SMILES for 4-(4-oxopiperidine-1-carbonyl)benzoic acid is O=C1CCN(C(=O)c2ccc(C(=O)O)cc2)CC1.
What is the InChIKey of 4-(4-oxopiperidine-1-carbonyl)benzoic acid?
The InChIKey is XXONJRIUBHNYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4/c15-11-5-7-14(8-6-11)12(16)9-1-3-10(4-2-9)13(17)18/h1-4H,5-8H2,(H,17,18).
What are the key properties of 4-(4-oxopiperidine-1-carbonyl)benzoic acid?
4-(4-oxopiperidine-1-carbonyl)benzoic acid has a molecular weight of 247.25 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-oxopiperidine-1-carbonyl)benzoic acid is sourced from PubChem (CID 2757374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).