4-(oxetane-2-carbonyl)piperazin-2-one

C8H12N2O3 — CID 126989346

IUPAC4-(oxetane-2-carbonyl)piperazin-2-one
SMILESO=C1CN(C(=O)C2CCO2)CCN1
InChIInChI=1S/C8H12N2O3/c11-7-5-10(3-2-9-7)8(12)6-1-4-13-6/h6H,1-5H2,(H,9,11)
InChIKeyNYYIGANOGKWWAM-UHFFFAOYSA-N
MW184.19 g/mol
LogP-1.27
Rot. Bonds1

About 4-(oxetane-2-carbonyl)piperazin-2-one

4-(oxetane-2-carbonyl)piperazin-2-one (PubChem CID 126989346) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 4-(oxetane-2-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name4-(oxetane-2-carbonyl)piperazin-2-one
PubChem CID126989346
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name4-(oxetane-2-carbonyl)piperazin-2-one
SMILESO=C1CN(C(=O)C2CCO2)CCN1
InChIInChI=1S/C8H12N2O3/c11-7-5-10(3-2-9-7)8(12)6-1-4-13-6/h6H,1-5H2,(H,9,11)
InChIKeyNYYIGANOGKWWAM-UHFFFAOYSA-N
XLogP-1.27
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 5-1.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(oxetane-2-carbonyl)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 4-(oxetane-2-carbonyl)piperazin-2-one?
The IUPAC name of 4-(oxetane-2-carbonyl)piperazin-2-one (CID 126989346) is 4-(oxetane-2-carbonyl)piperazin-2-one.
What is the SMILES notation for 4-(oxetane-2-carbonyl)piperazin-2-one?
The canonical SMILES for 4-(oxetane-2-carbonyl)piperazin-2-one is O=C1CN(C(=O)C2CCO2)CCN1.
What is the InChIKey of 4-(oxetane-2-carbonyl)piperazin-2-one?
The InChIKey is NYYIGANOGKWWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c11-7-5-10(3-2-9-7)8(12)6-1-4-13-6/h6H,1-5H2,(H,9,11).
What are the key properties of 4-(oxetane-2-carbonyl)piperazin-2-one?
4-(oxetane-2-carbonyl)piperazin-2-one has a molecular weight of 184.19 g/mol, XLogP of -1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxetane-2-carbonyl)piperazin-2-one is sourced from PubChem (CID 126989346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).