3-cyclopropyl-4-(3-methylpiperazin-1-yl)-1H-pyridin-2-one

C13H19N3O — CID 69105457

IUPAC3-cyclopropyl-4-(3-methylpiperazin-1-yl)-1H-pyridin-2-one
SMILESCC1CN(c2cc[nH]c(=O)c2C2CC2)CCN1
InChIInChI=1S/C13H19N3O/c1-9-8-16(7-6-14-9)11-4-5-15-13(17)12(11)10-2-3-10/h4-5,9-10,14H,2-3,6-8H2,1H3,(H,15,17)
InChIKeyDBPWMOMKRBHQEG-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.05
Rot. Bonds2

About 3-cyclopropyl-4-(3-methylpiperazin-1-yl)-1H-pyridin-2-one

3-cyclopropyl-4-(3-methylpiperazin-1-yl)-1H-pyridin-2-one (PubChem CID 69105457) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-cyclopropyl-4-(3-methylpiperazin-1-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-cyclopropyl-4-(3-methylpiperazin-1-yl)-1H-pyridin-2-one
PubChem CID69105457
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name3-cyclopropyl-4-(3-methylpiperazin-1-yl)-1H-pyridin-2-one
SMILESCC1CN(c2cc[nH]c(=O)c2C2CC2)CCN1
InChIInChI=1S/C13H19N3O/c1-9-8-16(7-6-14-9)11-4-5-15-13(17)12(11)10-2-3-10/h4-5,9-10,14H,2-3,6-8H2,1H3,(H,15,17)
InChIKeyDBPWMOMKRBHQEG-UHFFFAOYSA-N
XLogP1.05
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-cyclopropyl-4-(3-methylpiperazin-1-yl)-1H-pyridin-2-one 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-cyclopropyl-4-(3-methylpiperazin-1-yl)-1H-pyridin-2-one?
The IUPAC name of 3-cyclopropyl-4-(3-methylpiperazin-1-yl)-1H-pyridin-2-one (CID 69105457) is 3-cyclopropyl-4-(3-methylpiperazin-1-yl)-1H-pyridin-2-one.
What is the SMILES notation for 3-cyclopropyl-4-(3-methylpiperazin-1-yl)-1H-pyridin-2-one?
The canonical SMILES for 3-cyclopropyl-4-(3-methylpiperazin-1-yl)-1H-pyridin-2-one is CC1CN(c2cc[nH]c(=O)c2C2CC2)CCN1.
What is the InChIKey of 3-cyclopropyl-4-(3-methylpiperazin-1-yl)-1H-pyridin-2-one?
The InChIKey is DBPWMOMKRBHQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9-8-16(7-6-14-9)11-4-5-15-13(17)12(11)10-2-3-10/h4-5,9-10,14H,2-3,6-8H2,1H3,(H,15,17).
What are the key properties of 3-cyclopropyl-4-(3-methylpiperazin-1-yl)-1H-pyridin-2-one?
3-cyclopropyl-4-(3-methylpiperazin-1-yl)-1H-pyridin-2-one has a molecular weight of 233.31 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-4-(3-methylpiperazin-1-yl)-1H-pyridin-2-one is sourced from PubChem (CID 69105457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).