CAS 620931-01-3

4-(1,3-Benzodioxol-5-ylmethyl)-γ-oxo-1-piperazinebutanoic acid

Description:

4-(1,3-Benzodioxol-5-ylmethyl)-γ-oxo-1-piperazinebutanoic acid, identified by its CAS number 620931-01-3, is a chemical compound that features a piperazine ring, which is a six-membered cyclic amine known for its biological activity. This compound contains a benzodioxole moiety, contributing to its potential pharmacological properties, as benzodioxoles are often associated with various biological activities, including anti-inflammatory and analgesic effects. The presence of the γ-oxo group indicates that it may exhibit keto-enol tautomerism, which can influence its reactivity and interactions with biological targets. Additionally, the carboxylic acid functional group suggests that it can participate in hydrogen bonding and may exhibit acidic properties. Overall, this compound's unique structural features may render it of interest in medicinal chemistry, particularly in the development of new therapeutic agents. However, specific biological activities and applications would require further investigation through experimental studies.

Formula: C₁₆H₂₀N₂O₅

InChI: InChI=1S/C16H20N2O5/c19-15(3-4-16(20)21)18-7-5-17(6-8-18)10-12-1-2-13-14(9-12)23-11-22-13/h1-2,9H,3-8,10-11H2,(H,20,21)

InChI key: InChIKey=HEXADDRAWPRQIP-UHFFFAOYSA-N

SMILES: C(C=1C=C2C(=CC1)OCO2)N3CCN(C(CCC(O)=O)=O)CC3

Synonyms:

• 4-(1,3-Benzodioxol-5-ylmethyl)-γ-oxo-1-piperazinebutanoic acid
• 1-Piperazinebutanoic acid, 4-(1,3-benzodioxol-5-ylmethyl)-γ-oxo-
• 4-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-4-oxobutanoic acid
• 4-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-4-oxobutanoic acid