structure of 4-(4-methylpiperazine-1-carbonyl)benzonitrile

4-(4-methylpiperazine-1-carbonyl)benzonitrile

CAS No.: 1000932-49-9
M. Wt: 229.27800
M. Fa: C13H15N3O
InChI Key: -

Names and Identifiers of 1000932-49-9

CAS Number

1000932-49-9

IUPAC Name

4-(4-methylpiperazin-1-yl)carbonylbenzenecarbonitrile

Canonical SMILES

CN1CCN(CC1)C(=O)C2=CC=C(C=C2)C#N

Physical and chemical properties of 1000932-49-9

Exact Mass

229.12200

LogP

0.82168

Molecular Formula

C13H15N3O

Molecular Weight

229.27800

PSA

47.34000

Safety Information of 1000932-49-9

Pictograms

Signal Word

 Danger

Safety Data Sheet
Supports customized editing of SDS information and downloading in PDF documents.

Interaction Studies of 1000932-49-9

Interaction studies involving 4-(4-Methylpiperazine-1-carbonyl)benzonitrile focus on its binding affinity to various biological targets such as enzymes or receptors. Techniques like molecular docking simulations and binding assays are commonly employed to elucidate these interactions. Understanding these interactions is crucial for determining the pharmacodynamics and pharmacokinetics of the compound, which can inform its development as a therapeutic agent .

Biological Activity of 1000932-49-9

Research indicates that 4-(4-Methylpiperazine-1-carbonyl)benzonitrile exhibits potential biological activities, particularly in antimicrobial and anticancer domains. The piperazine ring is often associated with enhanced binding affinity to various biological targets, including receptors and enzymes. Studies suggest that compounds with similar structures may exhibit significant antitumor and antimicrobial properties, making this compound a candidate for further pharmacological exploration .