4-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]benzonitrile

C26H25N3O — CID 113081045

IUPAC4-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]benzonitrile
SMILESN#Cc1ccc(N2CCN(C(=O)CC(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C26H25N3O/c27-20-21-11-13-24(14-12-21)28-15-17-29(18-16-28)26(30)19-25(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-14,25H,15-19H2
InChIKeyVXRXQWHMTYYUEP-UHFFFAOYSA-N
MW395.51 g/mol
LogP4.43
Rot. Bonds5

About 4-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]benzonitrile

4-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]benzonitrile (PubChem CID 113081045) has the molecular formula C26H25N3O and a molecular weight of 395.51 g/mol. Its IUPAC name is 4-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]benzonitrile.

Molecular Properties

Compound Name4-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]benzonitrile
PubChem CID113081045
Molecular FormulaC26H25N3O
Molecular Weight395.51 g/mol
Exact Mass395.20
IUPAC Name4-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]benzonitrile
SMILESN#Cc1ccc(N2CCN(C(=O)CC(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C26H25N3O/c27-20-21-11-13-24(14-12-21)28-15-17-29(18-16-28)26(30)19-25(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-14,25H,15-19H2
InChIKeyVXRXQWHMTYYUEP-UHFFFAOYSA-N
XLogP4.43
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-[3-[4-(4-cyanophenyl)-1,4-diazepan-1-yl]-3-oxo-1-phenylpropyl]benzamide
CID 55720710
1-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]-3,3-diphenylpropan-1-one
CID 55919041
4-(4-cyanophenyl)-N-phenylpiperazine-1-carboxamide
CID 113081072
4-[4-(3-methoxypropanoyl)piperazin-1-yl]benzonitrile
CID 153358140
4-[4-[2-(diethylamino)acetyl]piperazin-1-yl]benzonitrile
CID 133287871
4-[4-[2-(4-phenylmethoxyphenoxy)acetyl]-1,4-diazepan-1-yl]benzonitrile
CID 55720577
4-[4-(2-piperidin-4-ylacetyl)piperazin-1-yl]benzonitrile
CID 167961946
1-(4-benzhydrylpiperazin-1-yl)-3,3-diphenylpropan-1-one;hydrochloride
CID 119057587
(3R)-3-(2-hydroxyphenyl)-1-[4-[(3R)-3-(2-hydroxyphenyl)-3-phenylpropanoyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 98044350
4-[4-[2-(4-propan-2-ylphenoxy)acetyl]-1,4-diazepan-1-yl]benzonitrile
CID 55716173
4-[4-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]piperazin-1-yl]benzonitrile
CID 178142640
[(1R)-3-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-3-oxo-1-phenylpropyl]urea
CID 31475605

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]benzonitrile?
The IUPAC name of 4-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]benzonitrile (CID 113081045) is 4-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]benzonitrile.
What is the SMILES notation for 4-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]benzonitrile?
The canonical SMILES for 4-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]benzonitrile is N#Cc1ccc(N2CCN(C(=O)CC(c3ccccc3)c3ccccc3)CC2)cc1.
What is the InChIKey of 4-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]benzonitrile?
The InChIKey is VXRXQWHMTYYUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O/c27-20-21-11-13-24(14-12-21)28-15-17-29(18-16-28)26(30)19-25(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-14,25H,15-19H2.
What are the key properties of 4-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]benzonitrile?
4-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]benzonitrile has a molecular weight of 395.51 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]benzonitrile is sourced from PubChem (CID 113081045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).