5-piperazin-1-yl-1H-pyridin-2-one

C9H13N3O — CID 77231103

IUPAC5-piperazin-1-yl-1H-pyridin-2-one
SMILESO=c1ccc(N2CCNCC2)c[nH]1
InChIInChI=1S/C9H13N3O/c13-9-2-1-8(7-11-9)12-5-3-10-4-6-12/h1-2,7,10H,3-6H2,(H,11,13)
InChIKeyHWSWTQFENFCZNV-UHFFFAOYSA-N
MW179.22 g/mol
LogP-0.22
Rot. Bonds1

About 5-piperazin-1-yl-1H-pyridin-2-one

5-piperazin-1-yl-1H-pyridin-2-one (PubChem CID 77231103) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 5-piperazin-1-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-piperazin-1-yl-1H-pyridin-2-one
PubChem CID77231103
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name5-piperazin-1-yl-1H-pyridin-2-one
SMILESO=c1ccc(N2CCNCC2)c[nH]1
InChIInChI=1S/C9H13N3O/c13-9-2-1-8(7-11-9)12-5-3-10-4-6-12/h1-2,7,10H,3-6H2,(H,11,13)
InChIKeyHWSWTQFENFCZNV-UHFFFAOYSA-N
XLogP-0.22
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-piperazin-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 5-piperazin-1-yl-1H-pyridin-2-one?
The IUPAC name of 5-piperazin-1-yl-1H-pyridin-2-one (CID 77231103) is 5-piperazin-1-yl-1H-pyridin-2-one.
What is the SMILES notation for 5-piperazin-1-yl-1H-pyridin-2-one?
The canonical SMILES for 5-piperazin-1-yl-1H-pyridin-2-one is O=c1ccc(N2CCNCC2)c[nH]1.
What is the InChIKey of 5-piperazin-1-yl-1H-pyridin-2-one?
The InChIKey is HWSWTQFENFCZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c13-9-2-1-8(7-11-9)12-5-3-10-4-6-12/h1-2,7,10H,3-6H2,(H,11,13).
What are the key properties of 5-piperazin-1-yl-1H-pyridin-2-one?
5-piperazin-1-yl-1H-pyridin-2-one has a molecular weight of 179.22 g/mol, XLogP of -0.22, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperazin-1-yl-1H-pyridin-2-one is sourced from PubChem (CID 77231103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).