CAS 1000932-49-9

4-[(4-Methyl-1-piperazinyl)carbonyl]benzonitrile

Description:

4-[(4-Methyl-1-piperazinyl)carbonyl]benzonitrile, identified by its CAS number 1000932-49-9, is a chemical compound characterized by its structural features, which include a benzonitrile moiety and a piperazine ring substituted with a methyl group. This compound typically exhibits properties associated with both aromatic and heterocyclic compounds, such as moderate solubility in organic solvents and potential reactivity due to the presence of the nitrile and carbonyl functional groups. The piperazine ring contributes to its basicity and may influence its pharmacological properties, making it of interest in medicinal chemistry. The compound's molecular structure suggests potential applications in drug development, particularly in the design of agents targeting various biological pathways. Its synthesis and characterization would involve standard organic chemistry techniques, including nucleophilic substitutions and carbonyl chemistry. Overall, 4-[(4-Methyl-1-piperazinyl)carbonyl]benzonitrile represents a versatile scaffold for further chemical modifications and biological evaluations.

Formula: C₁₃H₁₅N₃O

InChI: InChI=1S/C13H15N3O/c1-15-6-8-16(9-7-15)13(17)12-4-2-11(10-14)3-5-12/h2-5H,6-9H2,1H3

InChI key: InChIKey=LROHRAWHVXIYAH-UHFFFAOYSA-N

SMILES: C(=O)(C1=CC=C(C#N)C=C1)N2CCN(C)CC2

Synonyms:

• Benzonitrile, 4-[(4-methyl-1-piperazinyl)carbonyl]-
• 4-[(4-Methyl-1-piperazinyl)carbonyl]benzonitrile

4-(4-Methylpiperazine-1-carbonyl)benzonitrile

CAS: 1000932-49-9

Versatile small molecule scaffold

Formula: C₁₃H₁₅N₃O

Purity: Min. 95%

Molecular weight: 229.28 g/mol

Ref: 3D-AQB93249