CAS 62508-79-6

4-(2-Methoxyphenyl)-β-oxo-1-piperazinepropanenitrile

Description:

4-(2-Methoxyphenyl)-β-oxo-1-piperazinepropanenitrile, with the CAS number 62508-79-6, 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 β-oxo group, indicating a ketone functionality adjacent to the piperazine moiety, and a nitrile group (-C≡N), which contributes to its reactivity and potential biological activity. The methoxyphenyl substituent enhances its lipophilicity and may influence its interaction with biological targets. The overall structure suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to the presence of functional groups that can participate in various chemical reactions. Additionally, the compound's properties, such as solubility, stability, and reactivity, would be influenced by its molecular structure, making it a subject of interest for further research in drug design and synthesis.

Formula: C₁₄H₁₇N₃O₂

InChI: InChI=1S/C14H17N3O2/c1-19-13-5-3-2-4-12(13)16-8-10-17(11-9-16)14(18)6-7-15/h2-5H,6,8-11H2,1H3

InChI key: InChIKey=PKMKVXDYKKWNJW-UHFFFAOYSA-N

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

Synonyms:

• 4-(2-Methoxyphenyl)-β-oxo-1-piperazinepropanenitrile
• Piperazine, 1-(cyanoacetyl)-4-(2-methoxyphenyl)-
• 1-Piperazinepropanenitrile, 4-(2-methoxyphenyl)-β-oxo-

3-[4-(2-Methoxyphenyl)piperazin-1-yl]-3-oxopropanenitrile

Controlled Product

CAS: 62508-79-6

Versatile small molecule scaffold

Formula: C₁₄H₁₇N₃O₂

Purity: Min. 95%

Molecular weight: 259.3 g/mol

Ref: 3D-MCA50879