2-imidazol-1-yl-1-piperazin-1-ylbutan-1-one

C11H18N4O — CID 82509472

IUPAC2-imidazol-1-yl-1-piperazin-1-ylbutan-1-one
SMILESCCC(C(=O)N1CCNCC1)n1ccnc1
InChIInChI=1S/C11H18N4O/c1-2-10(15-8-5-13-9-15)11(16)14-6-3-12-4-7-14/h5,8-10,12H,2-4,6-7H2,1H3
InChIKeyIVZASPGFASZWNV-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.27
Rot. Bonds3

About 2-imidazol-1-yl-1-piperazin-1-ylbutan-1-one

2-imidazol-1-yl-1-piperazin-1-ylbutan-1-one (PubChem CID 82509472) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-imidazol-1-yl-1-piperazin-1-ylbutan-1-one.

Molecular Properties

Compound Name2-imidazol-1-yl-1-piperazin-1-ylbutan-1-one
PubChem CID82509472
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name2-imidazol-1-yl-1-piperazin-1-ylbutan-1-one
SMILESCCC(C(=O)N1CCNCC1)n1ccnc1
InChIInChI=1S/C11H18N4O/c1-2-10(15-8-5-13-9-15)11(16)14-6-3-12-4-7-14/h5,8-10,12H,2-4,6-7H2,1H3
InChIKeyIVZASPGFASZWNV-UHFFFAOYSA-N
XLogP0.27
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-imidazol-1-yl-1-piperazin-1-ylbutan-1-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 2-imidazol-1-yl-1-piperazin-1-ylbutan-1-one?
The IUPAC name of 2-imidazol-1-yl-1-piperazin-1-ylbutan-1-one (CID 82509472) is 2-imidazol-1-yl-1-piperazin-1-ylbutan-1-one.
What is the SMILES notation for 2-imidazol-1-yl-1-piperazin-1-ylbutan-1-one?
The canonical SMILES for 2-imidazol-1-yl-1-piperazin-1-ylbutan-1-one is CCC(C(=O)N1CCNCC1)n1ccnc1.
What is the InChIKey of 2-imidazol-1-yl-1-piperazin-1-ylbutan-1-one?
The InChIKey is IVZASPGFASZWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-2-10(15-8-5-13-9-15)11(16)14-6-3-12-4-7-14/h5,8-10,12H,2-4,6-7H2,1H3.
What are the key properties of 2-imidazol-1-yl-1-piperazin-1-ylbutan-1-one?
2-imidazol-1-yl-1-piperazin-1-ylbutan-1-one has a molecular weight of 222.29 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-1-piperazin-1-ylbutan-1-one is sourced from PubChem (CID 82509472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).