3-(1-methylpiperidin-4-yl)-3-pyridazin-3-ylpropanoic acid

C13H19N3O2 — CID 116833960

IUPAC3-(1-methylpiperidin-4-yl)-3-pyridazin-3-ylpropanoic acid
SMILESCN1CCC(C(CC(=O)O)c2cccnn2)CC1
InChIInChI=1S/C13H19N3O2/c1-16-7-4-10(5-8-16)11(9-13(17)18)12-3-2-6-14-15-12/h2-3,6,10-11H,4-5,7-9H2,1H3,(H,17,18)
InChIKeyHCZCYXKYMNFGFO-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.38
Rot. Bonds4

About 3-(1-methylpiperidin-4-yl)-3-pyridazin-3-ylpropanoic acid

3-(1-methylpiperidin-4-yl)-3-pyridazin-3-ylpropanoic acid (PubChem CID 116833960) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-(1-methylpiperidin-4-yl)-3-pyridazin-3-ylpropanoic acid.

Molecular Properties

Compound Name3-(1-methylpiperidin-4-yl)-3-pyridazin-3-ylpropanoic acid
PubChem CID116833960
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name3-(1-methylpiperidin-4-yl)-3-pyridazin-3-ylpropanoic acid
SMILESCN1CCC(C(CC(=O)O)c2cccnn2)CC1
InChIInChI=1S/C13H19N3O2/c1-16-7-4-10(5-8-16)11(9-13(17)18)12-3-2-6-14-15-12/h2-3,6,10-11H,4-5,7-9H2,1H3,(H,17,18)
InChIKeyHCZCYXKYMNFGFO-UHFFFAOYSA-N
XLogP1.38
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(1-methylpiperidin-4-yl)-3-pyridazin-3-ylpropanoic 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 3-(1-methylpiperidin-4-yl)-3-pyridazin-3-ylpropanoic acid?
The IUPAC name of 3-(1-methylpiperidin-4-yl)-3-pyridazin-3-ylpropanoic acid (CID 116833960) is 3-(1-methylpiperidin-4-yl)-3-pyridazin-3-ylpropanoic acid.
What is the SMILES notation for 3-(1-methylpiperidin-4-yl)-3-pyridazin-3-ylpropanoic acid?
The canonical SMILES for 3-(1-methylpiperidin-4-yl)-3-pyridazin-3-ylpropanoic acid is CN1CCC(C(CC(=O)O)c2cccnn2)CC1.
What is the InChIKey of 3-(1-methylpiperidin-4-yl)-3-pyridazin-3-ylpropanoic acid?
The InChIKey is HCZCYXKYMNFGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-16-7-4-10(5-8-16)11(9-13(17)18)12-3-2-6-14-15-12/h2-3,6,10-11H,4-5,7-9H2,1H3,(H,17,18).
What are the key properties of 3-(1-methylpiperidin-4-yl)-3-pyridazin-3-ylpropanoic acid?
3-(1-methylpiperidin-4-yl)-3-pyridazin-3-ylpropanoic acid has a molecular weight of 249.31 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpiperidin-4-yl)-3-pyridazin-3-ylpropanoic acid is sourced from PubChem (CID 116833960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).