CAS 725228-52-4

1,1-Dimethylethyl N-[[3-[1-[[5-[2-(2-fluorophenyl)ethynyl]-2-furanyl]carbonyl]-4-piperidinyl]phenyl]methyl]carbamate

Description:

1,1-Dimethylethyl N-[[3-[1-[[5-[2-(2-fluorophenyl)ethynyl]-2-furanyl]carbonyl]-4-piperidinyl]phenyl]methyl]carbamate, identified by its CAS number 725228-52-4, is a synthetic organic compound characterized by its complex molecular structure. It features multiple functional groups, including a carbamate moiety, which is known for its role in biological activity and potential pharmaceutical applications. The presence of a fluorophenyl group suggests enhanced lipophilicity, which can influence the compound's pharmacokinetics and bioavailability. Additionally, the ethynyl and furan components may contribute to its reactivity and interaction with biological targets. This compound is likely to exhibit specific properties such as solubility in organic solvents, stability under certain conditions, and potential activity as a drug candidate, particularly in the context of medicinal chemistry. Its intricate structure may also indicate a potential for selective binding to certain receptors or enzymes, making it of interest in drug discovery and development.

Formula: C₃₀H₃₁FN₂O₄

InChI: InChI=1S/C30H31FN2O4/c1-30(2,3)37-29(35)32-20-21-7-6-9-24(19-21)22-15-17-33(18-16-22)28(34)27-14-13-25(36-27)12-11-23-8-4-5-10-26(23)31/h4-10,13-14,19,22H,15-18,20H2,1-3H3,(H,32,35)

InChI key: InChIKey=KQYRKAUORDFEOC-UHFFFAOYSA-N

SMILES: C(NC(OC(C)(C)C)=O)C=1C=C(C2CCN(C(=O)C=3OC(C#CC4=C(F)C=CC=C4)=CC3)CC2)C=CC1

Synonyms:

• Carbamic acid, N-[[3-[1-[[5-[2-(2-fluorophenyl)ethynyl]-2-furanyl]carbonyl]-4-piperidinyl]phenyl]methyl]-, 1,1-dimethylethyl ester
• Carbamic acid, [[3-[1-[[5-[(2-fluorophenyl)ethynyl]-2-furanyl]carbonyl]-4-piperidinyl]phenyl]methyl]-, 1,1-dimethylethyl ester
• 1,1-Dimethylethyl N-[[3-[1-[[5-[2-(2-fluorophenyl)ethynyl]-2-furanyl]carbonyl]-4-piperidinyl]phenyl]methyl]carbamate
• tert-butyl 3-(1-(5-((2-fluorophenyl)ethynyl)furan-2-carbonyl)piperidin-4-yl)benzylcarbaMate