CAS 1187890-40-9

1,1-Dimethylethyl 4-(3-cyanobenzoyl)-1-piperazinecarboxylate

Description:

1,1-Dimethylethyl 4-(3-cyanobenzoyl)-1-piperazinecarboxylate, identified by its CAS number 1187890-40-9, is a chemical compound that features a piperazine ring, which is a six-membered heterocyclic structure containing two nitrogen atoms. This compound is characterized by the presence of a dimethyl group attached to a tert-butyl group, contributing to its steric bulk and potentially influencing its reactivity and solubility. The 4-(3-cyanobenzoyl) moiety indicates that it has a benzoyl group substituted with a cyano group at the meta position, which can enhance its electronic properties and may play a role in its biological activity. The ester functional group, indicated by the carboxylate, suggests that it may participate in various chemical reactions, such as hydrolysis or esterification. Overall, this compound may exhibit interesting pharmacological properties, making it of interest in medicinal chemistry and drug development. Its specific characteristics, such as solubility, melting point, and reactivity, would depend on the molecular interactions and the environment in which it is studied.

Formula: C₁₇H₂₁N₃O₃

InChI: InChI=1S/C17H21N3O3/c1-17(2,3)23-16(22)20-9-7-19(8-10-20)15(21)14-6-4-5-13(11-14)12-18/h4-6,11H,7-10H2,1-3H3

InChI key: InChIKey=JBOLPJWZEGJXBB-UHFFFAOYSA-N

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

Synonyms:

• 1-Piperazinecarboxylic acid, 4-(3-cyanobenzoyl)-, 1,1-dimethylethyl ester
• 1,1-Dimethylethyl 4-(3-cyanobenzoyl)-1-piperazinecarboxylate