1-[2-(4-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylic acid

C13H16N2O4 — CID 62881181

IUPAC1-[2-(4-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)Cn2ccc(=O)cc2)CC1
InChIInChI=1S/C13H16N2O4/c16-11-3-5-14(6-4-11)9-12(17)15-7-1-10(2-8-15)13(18)19/h3-6,10H,1-2,7-9H2,(H,18,19)
InChIKeyGDTLANZCLJALRM-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.17
Rot. Bonds3

About 1-[2-(4-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylic acid

1-[2-(4-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylic acid (PubChem CID 62881181) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 1-[2-(4-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylic acid
PubChem CID62881181
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name1-[2-(4-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)Cn2ccc(=O)cc2)CC1
InChIInChI=1S/C13H16N2O4/c16-11-3-5-14(6-4-11)9-12(17)15-7-1-10(2-8-15)13(18)19/h3-6,10H,1-2,7-9H2,(H,18,19)
InChIKeyGDTLANZCLJALRM-UHFFFAOYSA-N
XLogP0.17
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(4-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(4-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylic acid (CID 62881181) is 1-[2-(4-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(4-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(4-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)Cn2ccc(=O)cc2)CC1.
What is the InChIKey of 1-[2-(4-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylic acid?
The InChIKey is GDTLANZCLJALRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c16-11-3-5-14(6-4-11)9-12(17)15-7-1-10(2-8-15)13(18)19/h3-6,10H,1-2,7-9H2,(H,18,19).
What are the key properties of 1-[2-(4-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylic acid?
1-[2-(4-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylic acid has a molecular weight of 264.28 g/mol, XLogP of 0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 62881181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).