4-(1-methyl-2-oxo-4-pyridinyl)piperidine-1-carboxylic acid

C12H16N2O3 — CID 90713217

IUPAC4-(1-methyl-2-oxo-4-pyridinyl)piperidine-1-carboxylic acid
SMILESCn1ccc(C2CCN(C(=O)O)CC2)cc1=O
InChIInChI=1S/C12H16N2O3/c1-13-5-2-10(8-11(13)15)9-3-6-14(7-4-9)12(16)17/h2,5,8-9H,3-4,6-7H2,1H3,(H,16,17)
InChIKeyVUTMZWOLPWRQDB-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.24
Rot. Bonds1

About 4-(1-methyl-2-oxo-4-pyridinyl)piperidine-1-carboxylic acid

4-(1-methyl-2-oxo-4-pyridinyl)piperidine-1-carboxylic acid (PubChem CID 90713217) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-(1-methyl-2-oxo-4-pyridinyl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(1-methyl-2-oxo-4-pyridinyl)piperidine-1-carboxylic acid
PubChem CID90713217
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name4-(1-methyl-2-oxo-4-pyridinyl)piperidine-1-carboxylic acid
SMILESCn1ccc(C2CCN(C(=O)O)CC2)cc1=O
InChIInChI=1S/C12H16N2O3/c1-13-5-2-10(8-11(13)15)9-3-6-14(7-4-9)12(16)17/h2,5,8-9H,3-4,6-7H2,1H3,(H,16,17)
InChIKeyVUTMZWOLPWRQDB-UHFFFAOYSA-N
XLogP1.24
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(1-methyl-2-oxo-4-pyridinyl)piperidine-1-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 4-(1-methyl-2-oxo-4-pyridinyl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(1-methyl-2-oxo-4-pyridinyl)piperidine-1-carboxylic acid (CID 90713217) is 4-(1-methyl-2-oxo-4-pyridinyl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(1-methyl-2-oxo-4-pyridinyl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(1-methyl-2-oxo-4-pyridinyl)piperidine-1-carboxylic acid is Cn1ccc(C2CCN(C(=O)O)CC2)cc1=O.
What is the InChIKey of 4-(1-methyl-2-oxo-4-pyridinyl)piperidine-1-carboxylic acid?
The InChIKey is VUTMZWOLPWRQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-13-5-2-10(8-11(13)15)9-3-6-14(7-4-9)12(16)17/h2,5,8-9H,3-4,6-7H2,1H3,(H,16,17).
What are the key properties of 4-(1-methyl-2-oxo-4-pyridinyl)piperidine-1-carboxylic acid?
4-(1-methyl-2-oxo-4-pyridinyl)piperidine-1-carboxylic acid has a molecular weight of 236.27 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methyl-2-oxo-4-pyridinyl)piperidine-1-carboxylic acid is sourced from PubChem (CID 90713217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).