1-(5-acetyl-2-pyridinyl)piperidine-4-carboxylic acid

C13H16N2O3 — CID 66656112

IUPAC1-(5-acetyl-2-pyridinyl)piperidine-4-carboxylic acid
SMILESCC(=O)c1ccc(N2CCC(C(=O)O)CC2)nc1
InChIInChI=1S/C13H16N2O3/c1-9(16)11-2-3-12(14-8-11)15-6-4-10(5-7-15)13(17)18/h2-3,8,10H,4-7H2,1H3,(H,17,18)
InChIKeyGRGVWWUIVLFGEF-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.59
Rot. Bonds3

About 1-(5-acetyl-2-pyridinyl)piperidine-4-carboxylic acid

1-(5-acetyl-2-pyridinyl)piperidine-4-carboxylic acid (PubChem CID 66656112) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 1-(5-acetyl-2-pyridinyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(5-acetyl-2-pyridinyl)piperidine-4-carboxylic acid
PubChem CID66656112
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name1-(5-acetyl-2-pyridinyl)piperidine-4-carboxylic acid
SMILESCC(=O)c1ccc(N2CCC(C(=O)O)CC2)nc1
InChIInChI=1S/C13H16N2O3/c1-9(16)11-2-3-12(14-8-11)15-6-4-10(5-7-15)13(17)18/h2-3,8,10H,4-7H2,1H3,(H,17,18)
InChIKeyGRGVWWUIVLFGEF-UHFFFAOYSA-N
XLogP1.59
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5-acetyl-2-pyridinyl)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-(5-acetyl-2-pyridinyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(5-acetyl-2-pyridinyl)piperidine-4-carboxylic acid (CID 66656112) is 1-(5-acetyl-2-pyridinyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(5-acetyl-2-pyridinyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(5-acetyl-2-pyridinyl)piperidine-4-carboxylic acid is CC(=O)c1ccc(N2CCC(C(=O)O)CC2)nc1.
What is the InChIKey of 1-(5-acetyl-2-pyridinyl)piperidine-4-carboxylic acid?
The InChIKey is GRGVWWUIVLFGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-9(16)11-2-3-12(14-8-11)15-6-4-10(5-7-15)13(17)18/h2-3,8,10H,4-7H2,1H3,(H,17,18).
What are the key properties of 1-(5-acetyl-2-pyridinyl)piperidine-4-carboxylic acid?
1-(5-acetyl-2-pyridinyl)piperidine-4-carboxylic acid has a molecular weight of 248.28 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-acetyl-2-pyridinyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 66656112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).