CAS 1131451-64-3

1-Pyrrolidinecarboxylic acid, 3-methyl-3-(4-oxo-1-piperidinyl)-, ethyl ester

Description:

1-Pyrrolidinecarboxylic acid, 3-methyl-3-(4-oxo-1-piperidinyl)-, ethyl ester, identified by its CAS number 1131451-64-3, is a chemical compound that features a pyrrolidine ring and a piperidine moiety, indicating its potential biological activity. This compound is characterized by the presence of both carboxylic acid and ester functional groups, which contribute to its reactivity and solubility properties. The ethyl ester group suggests that it may exhibit moderate lipophilicity, making it suitable for various applications in medicinal chemistry. The presence of the 4-oxo group indicates potential for keto-enol tautomerism, which can influence its chemical behavior and interactions. Additionally, the methyl group on the pyrrolidine ring may affect steric hindrance and overall molecular conformation. Such structural features often correlate with biological activity, making this compound of interest in pharmaceutical research, particularly in the development of new therapeutic agents. However, specific biological activities and safety profiles would require further investigation through empirical studies.

Formula: C₁₃H₂₂N₂O₃

InChI: InChI=1S/C13H22N2O3/c1-3-18-12(17)14-9-6-13(2,10-14)15-7-4-11(16)5-8-15/h3-10H2,1-2H3

InChI key: InChIKey=JVYQKKGONMWXNA-UHFFFAOYSA-N

SMILES: CC1(N2CCC(=O)CC2)CN(C(OCC)=O)CC1

Synonyms:

• 1-Pyrrolidinecarboxylic acid, 3-methyl-3-(4-oxo-1-piperidinyl)-, ethyl ester
• Ethyl 3-methyl-3-(4-oxopiperidin-1-yl)pyrrolidine-1-carboxylate