1-(4-benzoylpiperazin-1-yl)-3-phenylbutan-1-one

C21H24N2O2 — CID 4884703

IUPAC1-(4-benzoylpiperazin-1-yl)-3-phenylbutan-1-one
SMILESCC(CC(=O)N1CCN(C(=O)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C21H24N2O2/c1-17(18-8-4-2-5-9-18)16-20(24)22-12-14-23(15-13-22)21(25)19-10-6-3-7-11-19/h2-11,17H,12-16H2,1H3
InChIKeyMWULBRQTPDSVFG-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.16
Rot. Bonds4

About 1-(4-benzoylpiperazin-1-yl)-3-phenylbutan-1-one

1-(4-benzoylpiperazin-1-yl)-3-phenylbutan-1-one (PubChem CID 4884703) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-(4-benzoylpiperazin-1-yl)-3-phenylbutan-1-one.

Molecular Properties

Compound Name1-(4-benzoylpiperazin-1-yl)-3-phenylbutan-1-one
PubChem CID4884703
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name1-(4-benzoylpiperazin-1-yl)-3-phenylbutan-1-one
SMILESCC(CC(=O)N1CCN(C(=O)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C21H24N2O2/c1-17(18-8-4-2-5-9-18)16-20(24)22-12-14-23(15-13-22)21(25)19-10-6-3-7-11-19/h2-11,17H,12-16H2,1H3
InChIKeyMWULBRQTPDSVFG-UHFFFAOYSA-N
XLogP3.16
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(4-benzoylpiperazin-1-yl)-3-phenylbutan-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 1-(4-benzoylpiperazin-1-yl)-3-phenylbutan-1-one?
The IUPAC name of 1-(4-benzoylpiperazin-1-yl)-3-phenylbutan-1-one (CID 4884703) is 1-(4-benzoylpiperazin-1-yl)-3-phenylbutan-1-one.
What is the SMILES notation for 1-(4-benzoylpiperazin-1-yl)-3-phenylbutan-1-one?
The canonical SMILES for 1-(4-benzoylpiperazin-1-yl)-3-phenylbutan-1-one is CC(CC(=O)N1CCN(C(=O)c2ccccc2)CC1)c1ccccc1.
What is the InChIKey of 1-(4-benzoylpiperazin-1-yl)-3-phenylbutan-1-one?
The InChIKey is MWULBRQTPDSVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-17(18-8-4-2-5-9-18)16-20(24)22-12-14-23(15-13-22)21(25)19-10-6-3-7-11-19/h2-11,17H,12-16H2,1H3.
What are the key properties of 1-(4-benzoylpiperazin-1-yl)-3-phenylbutan-1-one?
1-(4-benzoylpiperazin-1-yl)-3-phenylbutan-1-one has a molecular weight of 336.44 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzoylpiperazin-1-yl)-3-phenylbutan-1-one is sourced from PubChem (CID 4884703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).