1-(4-benzhydrylpiperazin-1-yl)-3,3-diphenylpropan-1-one

C32H32N2O — CID 4988454

IUPAC1-(4-benzhydrylpiperazin-1-yl)-3,3-diphenylpropan-1-one
SMILESO=C(CC(c1ccccc1)c1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C32H32N2O/c35-31(25-30(26-13-5-1-6-14-26)27-15-7-2-8-16-27)33-21-23-34(24-22-33)32(28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-20,30,32H,21-25H2
InChIKeyVCPMZDWBEWTGNW-UHFFFAOYSA-N
MW460.62 g/mol
LogP6.14
Rot. Bonds7

About 1-(4-benzhydrylpiperazin-1-yl)-3,3-diphenylpropan-1-one

1-(4-benzhydrylpiperazin-1-yl)-3,3-diphenylpropan-1-one (PubChem CID 4988454) has the molecular formula C32H32N2O and a molecular weight of 460.62 g/mol. Its IUPAC name is 1-(4-benzhydrylpiperazin-1-yl)-3,3-diphenylpropan-1-one.

Molecular Properties

Compound Name1-(4-benzhydrylpiperazin-1-yl)-3,3-diphenylpropan-1-one
PubChem CID4988454
Molecular FormulaC32H32N2O
Molecular Weight460.62 g/mol
Exact Mass460.25
IUPAC Name1-(4-benzhydrylpiperazin-1-yl)-3,3-diphenylpropan-1-one
SMILESO=C(CC(c1ccccc1)c1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C32H32N2O/c35-31(25-30(26-13-5-1-6-14-26)27-15-7-2-8-16-27)33-21-23-34(24-22-33)32(28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-20,30,32H,21-25H2
InChIKeyVCPMZDWBEWTGNW-UHFFFAOYSA-N
XLogP6.14
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.62
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(4-benzhydrylpiperazin-1-yl)-3,3-diphenylpropan-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-benzhydrylpiperazin-1-yl)-3,3-diphenylpropan-1-one?
The IUPAC name of 1-(4-benzhydrylpiperazin-1-yl)-3,3-diphenylpropan-1-one (CID 4988454) is 1-(4-benzhydrylpiperazin-1-yl)-3,3-diphenylpropan-1-one.
What is the SMILES notation for 1-(4-benzhydrylpiperazin-1-yl)-3,3-diphenylpropan-1-one?
The canonical SMILES for 1-(4-benzhydrylpiperazin-1-yl)-3,3-diphenylpropan-1-one is O=C(CC(c1ccccc1)c1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-(4-benzhydrylpiperazin-1-yl)-3,3-diphenylpropan-1-one?
The InChIKey is VCPMZDWBEWTGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N2O/c35-31(25-30(26-13-5-1-6-14-26)27-15-7-2-8-16-27)33-21-23-34(24-22-33)32(28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-20,30,32H,21-25H2.
What are the key properties of 1-(4-benzhydrylpiperazin-1-yl)-3,3-diphenylpropan-1-one?
1-(4-benzhydrylpiperazin-1-yl)-3,3-diphenylpropan-1-one has a molecular weight of 460.62 g/mol, XLogP of 6.14, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzhydrylpiperazin-1-yl)-3,3-diphenylpropan-1-one is sourced from PubChem (CID 4988454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).