1-(2-oxo-2-piperazin-1-ylethyl)-3-propan-2-ylimidazol-2-one

C12H20N4O2 — CID 80581096

IUPAC1-(2-oxo-2-piperazin-1-ylethyl)-3-propan-2-ylimidazol-2-one
SMILESCC(C)n1ccn(CC(=O)N2CCNCC2)c1=O
InChIInChI=1S/C12H20N4O2/c1-10(2)16-8-7-15(12(16)18)9-11(17)14-5-3-13-4-6-14/h7-8,10,13H,3-6,9H2,1-2H3
InChIKeyUVJKUBIVCHVPEN-UHFFFAOYSA-N
MW252.32 g/mol
LogP-0.34
Rot. Bonds3

About 1-(2-oxo-2-piperazin-1-ylethyl)-3-propan-2-ylimidazol-2-one

1-(2-oxo-2-piperazin-1-ylethyl)-3-propan-2-ylimidazol-2-one (PubChem CID 80581096) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-(2-oxo-2-piperazin-1-ylethyl)-3-propan-2-ylimidazol-2-one.

Molecular Properties

Compound Name1-(2-oxo-2-piperazin-1-ylethyl)-3-propan-2-ylimidazol-2-one
PubChem CID80581096
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name1-(2-oxo-2-piperazin-1-ylethyl)-3-propan-2-ylimidazol-2-one
SMILESCC(C)n1ccn(CC(=O)N2CCNCC2)c1=O
InChIInChI=1S/C12H20N4O2/c1-10(2)16-8-7-15(12(16)18)9-11(17)14-5-3-13-4-6-14/h7-8,10,13H,3-6,9H2,1-2H3
InChIKeyUVJKUBIVCHVPEN-UHFFFAOYSA-N
XLogP-0.34
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2-oxo-2-piperazin-1-ylethyl)-3-propan-2-ylimidazol-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 1-(2-oxo-2-piperazin-1-ylethyl)-3-propan-2-ylimidazol-2-one?
The IUPAC name of 1-(2-oxo-2-piperazin-1-ylethyl)-3-propan-2-ylimidazol-2-one (CID 80581096) is 1-(2-oxo-2-piperazin-1-ylethyl)-3-propan-2-ylimidazol-2-one.
What is the SMILES notation for 1-(2-oxo-2-piperazin-1-ylethyl)-3-propan-2-ylimidazol-2-one?
The canonical SMILES for 1-(2-oxo-2-piperazin-1-ylethyl)-3-propan-2-ylimidazol-2-one is CC(C)n1ccn(CC(=O)N2CCNCC2)c1=O.
What is the InChIKey of 1-(2-oxo-2-piperazin-1-ylethyl)-3-propan-2-ylimidazol-2-one?
The InChIKey is UVJKUBIVCHVPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-10(2)16-8-7-15(12(16)18)9-11(17)14-5-3-13-4-6-14/h7-8,10,13H,3-6,9H2,1-2H3.
What are the key properties of 1-(2-oxo-2-piperazin-1-ylethyl)-3-propan-2-ylimidazol-2-one?
1-(2-oxo-2-piperazin-1-ylethyl)-3-propan-2-ylimidazol-2-one has a molecular weight of 252.32 g/mol, XLogP of -0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxo-2-piperazin-1-ylethyl)-3-propan-2-ylimidazol-2-one is sourced from PubChem (CID 80581096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).