3-(3-methylimidazol-4-yl)piperazin-2-one

C8H12N4O — CID 66118830

IUPAC3-(3-methylimidazol-4-yl)piperazin-2-one
SMILESCn1cncc1C1NCCNC1=O
InChIInChI=1S/C8H12N4O/c1-12-5-9-4-6(12)7-8(13)11-3-2-10-7/h4-5,7,10H,2-3H2,1H3,(H,11,13)
InChIKeyCOBCVNSWYOOXKV-UHFFFAOYSA-N
MW180.21 g/mol
LogP-0.82
Rot. Bonds1

About 3-(3-methylimidazol-4-yl)piperazin-2-one

3-(3-methylimidazol-4-yl)piperazin-2-one (PubChem CID 66118830) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 3-(3-methylimidazol-4-yl)piperazin-2-one.

Molecular Properties

Compound Name3-(3-methylimidazol-4-yl)piperazin-2-one
PubChem CID66118830
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name3-(3-methylimidazol-4-yl)piperazin-2-one
SMILESCn1cncc1C1NCCNC1=O
InChIInChI=1S/C8H12N4O/c1-12-5-9-4-6(12)7-8(13)11-3-2-10-7/h4-5,7,10H,2-3H2,1H3,(H,11,13)
InChIKeyCOBCVNSWYOOXKV-UHFFFAOYSA-N
XLogP-0.82
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(3-methylimidazol-4-yl)piperazin-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-(3-methylimidazol-4-yl)piperazin-2-one?
The IUPAC name of 3-(3-methylimidazol-4-yl)piperazin-2-one (CID 66118830) is 3-(3-methylimidazol-4-yl)piperazin-2-one.
What is the SMILES notation for 3-(3-methylimidazol-4-yl)piperazin-2-one?
The canonical SMILES for 3-(3-methylimidazol-4-yl)piperazin-2-one is Cn1cncc1C1NCCNC1=O.
What is the InChIKey of 3-(3-methylimidazol-4-yl)piperazin-2-one?
The InChIKey is COBCVNSWYOOXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c1-12-5-9-4-6(12)7-8(13)11-3-2-10-7/h4-5,7,10H,2-3H2,1H3,(H,11,13).
What are the key properties of 3-(3-methylimidazol-4-yl)piperazin-2-one?
3-(3-methylimidazol-4-yl)piperazin-2-one has a molecular weight of 180.21 g/mol, XLogP of -0.82, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylimidazol-4-yl)piperazin-2-one is sourced from PubChem (CID 66118830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).