2-(1-methylpiperidin-3-yl)-6-oxo-1H-pyrimidine-4-carboxylic acid

C11H15N3O3 — CID 136967076

IUPAC2-(1-methylpiperidin-3-yl)-6-oxo-1H-pyrimidine-4-carboxylic acid
SMILESCN1CCCC(c2nc(C(=O)O)cc(=O)[nH]2)C1
InChIInChI=1S/C11H15N3O3/c1-14-4-2-3-7(6-14)10-12-8(11(16)17)5-9(15)13-10/h5,7H,2-4,6H2,1H3,(H,16,17)(H,12,13,15)
InChIKeyQCXMMQPSVHGPLJ-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.28
Rot. Bonds2

About 2-(1-methylpiperidin-3-yl)-6-oxo-1H-pyrimidine-4-carboxylic acid

2-(1-methylpiperidin-3-yl)-6-oxo-1H-pyrimidine-4-carboxylic acid (PubChem CID 136967076) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-(1-methylpiperidin-3-yl)-6-oxo-1H-pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(1-methylpiperidin-3-yl)-6-oxo-1H-pyrimidine-4-carboxylic acid
PubChem CID136967076
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name2-(1-methylpiperidin-3-yl)-6-oxo-1H-pyrimidine-4-carboxylic acid
SMILESCN1CCCC(c2nc(C(=O)O)cc(=O)[nH]2)C1
InChIInChI=1S/C11H15N3O3/c1-14-4-2-3-7(6-14)10-12-8(11(16)17)5-9(15)13-10/h5,7H,2-4,6H2,1H3,(H,16,17)(H,12,13,15)
InChIKeyQCXMMQPSVHGPLJ-UHFFFAOYSA-N
XLogP0.28
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(1-methylpiperidin-3-yl)-6-oxo-1H-pyrimidine-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 2-(1-methylpiperidin-3-yl)-6-oxo-1H-pyrimidine-4-carboxylic acid?
The IUPAC name of 2-(1-methylpiperidin-3-yl)-6-oxo-1H-pyrimidine-4-carboxylic acid (CID 136967076) is 2-(1-methylpiperidin-3-yl)-6-oxo-1H-pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-(1-methylpiperidin-3-yl)-6-oxo-1H-pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-(1-methylpiperidin-3-yl)-6-oxo-1H-pyrimidine-4-carboxylic acid is CN1CCCC(c2nc(C(=O)O)cc(=O)[nH]2)C1.
What is the InChIKey of 2-(1-methylpiperidin-3-yl)-6-oxo-1H-pyrimidine-4-carboxylic acid?
The InChIKey is QCXMMQPSVHGPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-14-4-2-3-7(6-14)10-12-8(11(16)17)5-9(15)13-10/h5,7H,2-4,6H2,1H3,(H,16,17)(H,12,13,15).
What are the key properties of 2-(1-methylpiperidin-3-yl)-6-oxo-1H-pyrimidine-4-carboxylic acid?
2-(1-methylpiperidin-3-yl)-6-oxo-1H-pyrimidine-4-carboxylic acid has a molecular weight of 237.26 g/mol, XLogP of 0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-3-yl)-6-oxo-1H-pyrimidine-4-carboxylic acid is sourced from PubChem (CID 136967076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).