4-(4-oxo-4-piperazin-1-ylbutyl)benzonitrile

C15H19N3O — CID 83927436

IUPAC4-(4-oxo-4-piperazin-1-ylbutyl)benzonitrile
SMILESN#Cc1ccc(CCCC(=O)N2CCNCC2)cc1
InChIInChI=1S/C15H19N3O/c16-12-14-6-4-13(5-7-14)2-1-3-15(19)18-10-8-17-9-11-18/h4-7,17H,1-3,8-11H2
InChIKeyWXGUAQVEMIRVHD-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.31
Rot. Bonds4

About 4-(4-oxo-4-piperazin-1-ylbutyl)benzonitrile

4-(4-oxo-4-piperazin-1-ylbutyl)benzonitrile (PubChem CID 83927436) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-(4-oxo-4-piperazin-1-ylbutyl)benzonitrile.

Molecular Properties

Compound Name4-(4-oxo-4-piperazin-1-ylbutyl)benzonitrile
PubChem CID83927436
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name4-(4-oxo-4-piperazin-1-ylbutyl)benzonitrile
SMILESN#Cc1ccc(CCCC(=O)N2CCNCC2)cc1
InChIInChI=1S/C15H19N3O/c16-12-14-6-4-13(5-7-14)2-1-3-15(19)18-10-8-17-9-11-18/h4-7,17H,1-3,8-11H2
InChIKeyWXGUAQVEMIRVHD-UHFFFAOYSA-N
XLogP1.31
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(4-oxo-4-piperazin-1-ylbutyl)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

4-(4-methylphenyl)-1-piperazin-1-ylbutan-1-one
CID 82086276
1-(1,4-diazepan-1-yl)-4-(4-fluorophenyl)butan-1-one
CID 82091540
4-(3,4-dichlorophenyl)-1-piperazin-1-ylbutan-1-one
CID 83931253
4-(4-pentoxyphenyl)-1-piperazin-1-ylbutan-1-one
CID 83932566
1-piperazin-1-yl-4-(4-propylsulfanylphenyl)butan-1-one
CID 83935718
4-[3-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-3-oxopropyl]benzonitrile
CID 131703347
4-[(2-oxo-2-piperazin-1-ylethyl)amino]benzonitrile
CID 60895306
2-(4-butylphenyl)-1-piperazin-1-ylethanone;hydrochloride
CID 119403589
4-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]benzonitrile
CID 31946879
4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]benzonitrile
CID 62404565
4-[3-[4-(4-ethylbenzoyl)piperazin-1-yl]-3-oxopropyl]benzonitrile
CID 32772147
1,10-di(piperazin-1-yl)decane-1,10-dione
CID 19981244

Frequently Asked Questions

What is the IUPAC name of 4-(4-oxo-4-piperazin-1-ylbutyl)benzonitrile?
The IUPAC name of 4-(4-oxo-4-piperazin-1-ylbutyl)benzonitrile (CID 83927436) is 4-(4-oxo-4-piperazin-1-ylbutyl)benzonitrile.
What is the SMILES notation for 4-(4-oxo-4-piperazin-1-ylbutyl)benzonitrile?
The canonical SMILES for 4-(4-oxo-4-piperazin-1-ylbutyl)benzonitrile is N#Cc1ccc(CCCC(=O)N2CCNCC2)cc1.
What is the InChIKey of 4-(4-oxo-4-piperazin-1-ylbutyl)benzonitrile?
The InChIKey is WXGUAQVEMIRVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c16-12-14-6-4-13(5-7-14)2-1-3-15(19)18-10-8-17-9-11-18/h4-7,17H,1-3,8-11H2.
What are the key properties of 4-(4-oxo-4-piperazin-1-ylbutyl)benzonitrile?
4-(4-oxo-4-piperazin-1-ylbutyl)benzonitrile has a molecular weight of 257.34 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-oxo-4-piperazin-1-ylbutyl)benzonitrile is sourced from PubChem (CID 83927436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).