3-phenyl-1-(4-phenylpiperazin-1-yl)butan-1-one

C20H24N2O — CID 2915389

IUPAC3-phenyl-1-(4-phenylpiperazin-1-yl)butan-1-one
SMILESCC(CC(=O)N1CCN(c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C20H24N2O/c1-17(18-8-4-2-5-9-18)16-20(23)22-14-12-21(13-15-22)19-10-6-3-7-11-19/h2-11,17H,12-16H2,1H3
InChIKeyAMBMOHRJMZFHBK-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.53
Rot. Bonds4

About 3-phenyl-1-(4-phenylpiperazin-1-yl)butan-1-one

3-phenyl-1-(4-phenylpiperazin-1-yl)butan-1-one (PubChem CID 2915389) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 3-phenyl-1-(4-phenylpiperazin-1-yl)butan-1-one.

Molecular Properties

Compound Name3-phenyl-1-(4-phenylpiperazin-1-yl)butan-1-one
PubChem CID2915389
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name3-phenyl-1-(4-phenylpiperazin-1-yl)butan-1-one
SMILESCC(CC(=O)N1CCN(c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C20H24N2O/c1-17(18-8-4-2-5-9-18)16-20(23)22-14-12-21(13-15-22)19-10-6-3-7-11-19/h2-11,17H,12-16H2,1H3
InChIKeyAMBMOHRJMZFHBK-UHFFFAOYSA-N
XLogP3.53
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-phenyl-1-(4-phenylpiperazin-1-yl)butan-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 3-phenyl-1-(4-phenylpiperazin-1-yl)butan-1-one?
The IUPAC name of 3-phenyl-1-(4-phenylpiperazin-1-yl)butan-1-one (CID 2915389) is 3-phenyl-1-(4-phenylpiperazin-1-yl)butan-1-one.
What is the SMILES notation for 3-phenyl-1-(4-phenylpiperazin-1-yl)butan-1-one?
The canonical SMILES for 3-phenyl-1-(4-phenylpiperazin-1-yl)butan-1-one is CC(CC(=O)N1CCN(c2ccccc2)CC1)c1ccccc1.
What is the InChIKey of 3-phenyl-1-(4-phenylpiperazin-1-yl)butan-1-one?
The InChIKey is AMBMOHRJMZFHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-17(18-8-4-2-5-9-18)16-20(23)22-14-12-21(13-15-22)19-10-6-3-7-11-19/h2-11,17H,12-16H2,1H3.
What are the key properties of 3-phenyl-1-(4-phenylpiperazin-1-yl)butan-1-one?
3-phenyl-1-(4-phenylpiperazin-1-yl)butan-1-one has a molecular weight of 308.43 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-(4-phenylpiperazin-1-yl)butan-1-one is sourced from PubChem (CID 2915389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).