1-benzoylpiperidine-3-carboxylic acid

C13H15NO3 — CID 3136474

IUPAC1-benzoylpiperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)c2ccccc2)C1
InChIInChI=1S/C13H15NO3/c15-12(10-5-2-1-3-6-10)14-8-4-7-11(9-14)13(16)17/h1-3,5-6,11H,4,7-9H2,(H,16,17)
InChIKeyBVUJBJCCSDLXPU-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.62
Rot. Bonds2

About 1-benzoylpiperidine-3-carboxylic acid

1-benzoylpiperidine-3-carboxylic acid (PubChem CID 3136474) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-benzoylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-benzoylpiperidine-3-carboxylic acid
PubChem CID3136474
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name1-benzoylpiperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)c2ccccc2)C1
InChIInChI=1S/C13H15NO3/c15-12(10-5-2-1-3-6-10)14-8-4-7-11(9-14)13(16)17/h1-3,5-6,11H,4,7-9H2,(H,16,17)
InChIKeyBVUJBJCCSDLXPU-UHFFFAOYSA-N
XLogP1.62
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzoylpiperidine-3-carboxylic acid?
The IUPAC name of 1-benzoylpiperidine-3-carboxylic acid (CID 3136474) is 1-benzoylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-benzoylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-benzoylpiperidine-3-carboxylic acid is O=C(O)C1CCCN(C(=O)c2ccccc2)C1.
What is the InChIKey of 1-benzoylpiperidine-3-carboxylic acid?
The InChIKey is BVUJBJCCSDLXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c15-12(10-5-2-1-3-6-10)14-8-4-7-11(9-14)13(16)17/h1-3,5-6,11H,4,7-9H2,(H,16,17).
What are the key properties of 1-benzoylpiperidine-3-carboxylic acid?
1-benzoylpiperidine-3-carboxylic acid has a molecular weight of 233.27 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoylpiperidine-3-carboxylic acid is sourced from PubChem (CID 3136474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).