4-(3-imidazol-1-ylhexanoyl)-3-methylpiperazin-2-one

C14H22N4O2 — CID 63374326

IUPAC4-(3-imidazol-1-ylhexanoyl)-3-methylpiperazin-2-one
SMILESCCCC(CC(=O)N1CCNC(=O)C1C)n1ccnc1
InChIInChI=1S/C14H22N4O2/c1-3-4-12(17-7-5-15-10-17)9-13(19)18-8-6-16-14(20)11(18)2/h5,7,10-12H,3-4,6,8-9H2,1-2H3,(H,16,20)
InChIKeyHIOHJBORLHLPJT-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.96
Rot. Bonds5

About 4-(3-imidazol-1-ylhexanoyl)-3-methylpiperazin-2-one

4-(3-imidazol-1-ylhexanoyl)-3-methylpiperazin-2-one (PubChem CID 63374326) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 4-(3-imidazol-1-ylhexanoyl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(3-imidazol-1-ylhexanoyl)-3-methylpiperazin-2-one
PubChem CID63374326
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name4-(3-imidazol-1-ylhexanoyl)-3-methylpiperazin-2-one
SMILESCCCC(CC(=O)N1CCNC(=O)C1C)n1ccnc1
InChIInChI=1S/C14H22N4O2/c1-3-4-12(17-7-5-15-10-17)9-13(19)18-8-6-16-14(20)11(18)2/h5,7,10-12H,3-4,6,8-9H2,1-2H3,(H,16,20)
InChIKeyHIOHJBORLHLPJT-UHFFFAOYSA-N
XLogP0.96
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(3-imidazol-1-ylhexanoyl)-3-methylpiperazin-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-(3-imidazol-1-ylhexanoyl)-3-methylpiperazin-2-one?
The IUPAC name of 4-(3-imidazol-1-ylhexanoyl)-3-methylpiperazin-2-one (CID 63374326) is 4-(3-imidazol-1-ylhexanoyl)-3-methylpiperazin-2-one.
What is the SMILES notation for 4-(3-imidazol-1-ylhexanoyl)-3-methylpiperazin-2-one?
The canonical SMILES for 4-(3-imidazol-1-ylhexanoyl)-3-methylpiperazin-2-one is CCCC(CC(=O)N1CCNC(=O)C1C)n1ccnc1.
What is the InChIKey of 4-(3-imidazol-1-ylhexanoyl)-3-methylpiperazin-2-one?
The InChIKey is HIOHJBORLHLPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-3-4-12(17-7-5-15-10-17)9-13(19)18-8-6-16-14(20)11(18)2/h5,7,10-12H,3-4,6,8-9H2,1-2H3,(H,16,20).
What are the key properties of 4-(3-imidazol-1-ylhexanoyl)-3-methylpiperazin-2-one?
4-(3-imidazol-1-ylhexanoyl)-3-methylpiperazin-2-one has a molecular weight of 278.36 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-imidazol-1-ylhexanoyl)-3-methylpiperazin-2-one is sourced from PubChem (CID 63374326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).