2-(4-benzoylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)acetonitrile

C22H25N3O — CID 110350418

IUPAC2-(4-benzoylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)acetonitrile
SMILESCC(C)c1ccc(C(C#N)N2CCN(C(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C22H25N3O/c1-17(2)18-8-10-19(11-9-18)21(16-23)24-12-14-25(15-13-24)22(26)20-6-4-3-5-7-20/h3-11,17,21H,12-15H2,1-2H3
InChIKeyXZUBEPPEHWAQNM-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.83
Rot. Bonds4

About 2-(4-benzoylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)acetonitrile

2-(4-benzoylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)acetonitrile (PubChem CID 110350418) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-(4-benzoylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)acetonitrile.

Molecular Properties

Compound Name2-(4-benzoylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)acetonitrile
PubChem CID110350418
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name2-(4-benzoylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)acetonitrile
SMILESCC(C)c1ccc(C(C#N)N2CCN(C(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C22H25N3O/c1-17(2)18-8-10-19(11-9-18)21(16-23)24-12-14-25(15-13-24)22(26)20-6-4-3-5-7-20/h3-11,17,21H,12-15H2,1-2H3
InChIKeyXZUBEPPEHWAQNM-UHFFFAOYSA-N
XLogP3.83
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-benzoylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)acetonitrile 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

(2S)-2-phenyl-2-[4-(4-phenylbenzoyl)piperazin-1-yl]acetonitrile
CID 51556240
(2R)-2-[4-[4-(methoxymethyl)benzoyl]piperazin-1-yl]-2-phenylacetonitrile
CID 92510955
2-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-(4-methylphenyl)acetonitrile
CID 110349808
2-(4-chlorophenyl)-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]acetonitrile
CID 110350201
2-(4-benzoylpiperazin-1-yl)-2-(2-fluorophenyl)acetonitrile
CID 110349512
2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-(4-methylphenyl)acetonitrile
CID 110349807
2-(4-methoxyphenyl)-2-[4-(4-methylbenzoyl)piperazin-1-yl]acetonitrile
CID 110349956
N-tert-butyl-4-[4-[cyano(phenyl)methyl]piperazine-1-carbonyl]benzenesulfonamide
CID 112800740
2-(4-benzoylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)propanamide
CID 18085911
2-[4-(dimethylamino)phenyl]-2-[4-(3-methylbenzoyl)piperazin-1-yl]acetonitrile
CID 110350242
2-(4-benzoylpiperazin-1-yl)butanenitrile
CID 63337423
4-[4-[(1S)-1-(4-propan-2-ylphenyl)ethyl]piperazine-1-carbonyl]benzoic acid
CID 2051023

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)acetonitrile?
The IUPAC name of 2-(4-benzoylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)acetonitrile (CID 110350418) is 2-(4-benzoylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)acetonitrile.
What is the SMILES notation for 2-(4-benzoylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)acetonitrile?
The canonical SMILES for 2-(4-benzoylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)acetonitrile is CC(C)c1ccc(C(C#N)N2CCN(C(=O)c3ccccc3)CC2)cc1.
What is the InChIKey of 2-(4-benzoylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)acetonitrile?
The InChIKey is XZUBEPPEHWAQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-17(2)18-8-10-19(11-9-18)21(16-23)24-12-14-25(15-13-24)22(26)20-6-4-3-5-7-20/h3-11,17,21H,12-15H2,1-2H3.
What are the key properties of 2-(4-benzoylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)acetonitrile?
2-(4-benzoylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)acetonitrile has a molecular weight of 347.46 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)acetonitrile is sourced from PubChem (CID 110350418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).