CAS 1211591-91-1

4-(2-Oxo-1-piperazinyl)benzonitrile

Description:

4-(2-Oxo-1-piperazinyl)benzonitrile, identified by its CAS number 1211591-91-1, is a chemical compound that features a piperazine ring substituted with a carbonyl group and a benzonitrile moiety. This compound typically exhibits characteristics common to piperazine derivatives, such as potential biological activity, including antimicrobial or antitumor properties. The presence of the nitrile group suggests that it may participate in nucleophilic reactions, while the carbonyl group can engage in hydrogen bonding, influencing its solubility and reactivity. The molecular structure indicates that it may be a polar compound, which could affect its interaction with biological systems. Additionally, the compound may be of interest in medicinal chemistry for its potential therapeutic applications. As with many synthetic organic compounds, its stability, reactivity, and biological activity would depend on various factors, including environmental conditions and the presence of other chemical species. Proper handling and safety measures should be observed when working with this substance in a laboratory setting.

Formula: C₁₁H₁₁N₃O

InChI: InChI=1S/C11H11N3O/c12-7-9-1-3-10(4-2-9)14-6-5-13-8-11(14)15/h1-4,13H,5-6,8H2

InChI key: InChIKey=MZLRQKXGMJWNJS-UHFFFAOYSA-N

SMILES: O=C1N(CCNC1)C2=CC=C(C#N)C=C2

Synonyms:

• Benzonitrile, 4-(2-oxo-1-piperazinyl)-
• 4-(2-Oxo-1-piperazinyl)benzonitrile