4-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]butanoic acid

C15H22N2O3 — CID 39151151

IUPAC4-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]butanoic acid
SMILESCC1CCN(c2ccc(=O)n(CCCC(=O)O)c2)CC1
InChIInChI=1S/C15H22N2O3/c1-12-6-9-16(10-7-12)13-4-5-14(18)17(11-13)8-2-3-15(19)20/h4-5,11-12H,2-3,6-10H2,1H3,(H,19,20)
InChIKeyRQIMQPBDONTFON-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.95
Rot. Bonds5

About 4-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]butanoic acid

4-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]butanoic acid (PubChem CID 39151151) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 4-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]butanoic acid.

Molecular Properties

Compound Name4-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]butanoic acid
PubChem CID39151151
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name4-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]butanoic acid
SMILESCC1CCN(c2ccc(=O)n(CCCC(=O)O)c2)CC1
InChIInChI=1S/C15H22N2O3/c1-12-6-9-16(10-7-12)13-4-5-14(18)17(11-13)8-2-3-15(19)20/h4-5,11-12H,2-3,6-10H2,1H3,(H,19,20)
InChIKeyRQIMQPBDONTFON-UHFFFAOYSA-N
XLogP1.95
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]butanoic 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 4-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]butanoic acid?
The IUPAC name of 4-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]butanoic acid (CID 39151151) is 4-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]butanoic acid.
What is the SMILES notation for 4-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]butanoic acid?
The canonical SMILES for 4-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]butanoic acid is CC1CCN(c2ccc(=O)n(CCCC(=O)O)c2)CC1.
What is the InChIKey of 4-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]butanoic acid?
The InChIKey is RQIMQPBDONTFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-12-6-9-16(10-7-12)13-4-5-14(18)17(11-13)8-2-3-15(19)20/h4-5,11-12H,2-3,6-10H2,1H3,(H,19,20).
What are the key properties of 4-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]butanoic acid?
4-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]butanoic acid has a molecular weight of 278.35 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]butanoic acid is sourced from PubChem (CID 39151151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).