6-(piperazin-1-ylmethyl)-3H-pyridin-2-one

C10H15N3O — CID 130175995

IUPAC6-(piperazin-1-ylmethyl)-3H-pyridin-2-one
SMILESO=C1CC=CC(CN2CCNCC2)=N1
InChIInChI=1S/C10H15N3O/c14-10-3-1-2-9(12-10)8-13-6-4-11-5-7-13/h1-2,11H,3-8H2
InChIKeyILGWBLRFJCIHLK-UHFFFAOYSA-N
MW193.25 g/mol
LogP-0.18
Rot. Bonds2

About 6-(piperazin-1-ylmethyl)-3H-pyridin-2-one

6-(piperazin-1-ylmethyl)-3H-pyridin-2-one (PubChem CID 130175995) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 6-(piperazin-1-ylmethyl)-3H-pyridin-2-one.

Molecular Properties

Compound Name6-(piperazin-1-ylmethyl)-3H-pyridin-2-one
PubChem CID130175995
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name6-(piperazin-1-ylmethyl)-3H-pyridin-2-one
SMILESO=C1CC=CC(CN2CCNCC2)=N1
InChIInChI=1S/C10H15N3O/c14-10-3-1-2-9(12-10)8-13-6-4-11-5-7-13/h1-2,11H,3-8H2
InChIKeyILGWBLRFJCIHLK-UHFFFAOYSA-N
XLogP-0.18
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(piperazin-1-ylmethyl)-3H-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 6-(piperazin-1-ylmethyl)-3H-pyridin-2-one?
The IUPAC name of 6-(piperazin-1-ylmethyl)-3H-pyridin-2-one (CID 130175995) is 6-(piperazin-1-ylmethyl)-3H-pyridin-2-one.
What is the SMILES notation for 6-(piperazin-1-ylmethyl)-3H-pyridin-2-one?
The canonical SMILES for 6-(piperazin-1-ylmethyl)-3H-pyridin-2-one is O=C1CC=CC(CN2CCNCC2)=N1.
What is the InChIKey of 6-(piperazin-1-ylmethyl)-3H-pyridin-2-one?
The InChIKey is ILGWBLRFJCIHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c14-10-3-1-2-9(12-10)8-13-6-4-11-5-7-13/h1-2,11H,3-8H2.
What are the key properties of 6-(piperazin-1-ylmethyl)-3H-pyridin-2-one?
6-(piperazin-1-ylmethyl)-3H-pyridin-2-one has a molecular weight of 193.25 g/mol, XLogP of -0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(piperazin-1-ylmethyl)-3H-pyridin-2-one is sourced from PubChem (CID 130175995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).