CAS 76003-31-1

1,1-Dimethylethyl 3-oxo-2-(phenylmethyl)-1-piperazinecarboxylate

Description:

1,1-Dimethylethyl 3-oxo-2-(phenylmethyl)-1-piperazinecarboxylate, with the CAS number 76003-31-1, is a chemical compound that belongs to the class of piperazine derivatives. It features a piperazine ring, which is a six-membered heterocyclic structure containing two nitrogen atoms. This compound is characterized by the presence of a carboxylate group, which contributes to its potential as a bioactive molecule. The dimethyl group attached to the carbon adjacent to the piperazine ring enhances its steric properties, potentially influencing its interaction with biological targets. The phenylmethyl substituent adds to its lipophilicity, which may affect its solubility and permeability in biological systems. The presence of the keto group (3-oxo) suggests potential reactivity, making it a candidate for various chemical transformations. Overall, this compound may exhibit interesting pharmacological properties, warranting further investigation in medicinal chemistry and drug development contexts.

Formula: C₁₆H₂₂N₂O₃

InChI: InChI=1S/C16H22N2O3/c1-16(2,3)21-15(20)18-10-9-17-14(19)13(18)11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,17,19)

InChI key: InChIKey=WCQHYEJEGGKFNU-UHFFFAOYSA-N

SMILES: C(C1N(C(OC(C)(C)C)=O)CCNC1=O)C2=CC=CC=C2

Synonyms:

• 1,1-Dimethylethyl 3-oxo-2-(phenylmethyl)-1-piperazinecarboxylate
• 1-Piperazinecarboxylic acid, 3-oxo-2-(phenylmethyl)-, 1,1-dimethylethyl ester