CAS 1233958-27-4

1,1-Dimethylethyl 4-[[[(3-nitrophenyl)amino]carbonyl]amino]-1-piperidinecarboxylate

Description:

1,1-Dimethylethyl 4-[[[(3-nitrophenyl)amino]carbonyl]amino]-1-piperidinecarboxylate, identified by its CAS number 1233958-27-4, is a chemical compound that features a complex structure incorporating a piperidine ring, a nitrophenyl group, and a carboxylate functional group. This compound is characterized by its potential biological activity, often explored in medicinal chemistry for its role as a pharmacophore. The presence of the nitrophenyl moiety suggests possible interactions with biological targets, making it of interest in drug development. The dimethyl group contributes to steric hindrance, which can influence the compound's reactivity and binding affinity. Additionally, the carboxylate group may participate in hydrogen bonding and ionic interactions, enhancing solubility and bioavailability. Overall, this compound exemplifies the intricate relationship between molecular structure and biological function, making it a subject of interest in both synthetic and medicinal chemistry research.

Formula: C₁₇H₂₄N₄O₅

InChI: InChI=1S/C17H24N4O5/c1-17(2,3)26-16(23)20-9-7-12(8-10-20)18-15(22)19-13-5-4-6-14(11-13)21(24)25/h4-6,11-12H,7-10H2,1-3H3,(H2,18,19,22)

InChI key: InChIKey=YIMFEVAIHLTMAO-UHFFFAOYSA-N

SMILES: C(OC(C)(C)C)(=O)N1CCC(NC(NC2=CC(N(=O)=O)=CC=C2)=O)CC1

Synonyms:

• 1,1-Dimethylethyl 4-[[[(3-nitrophenyl)amino]carbonyl]amino]-1-piperidinecarboxylate
• 1-Piperidinecarboxylic acid, 4-[[[(3-nitrophenyl)amino]carbonyl]amino]-, 1,1-dimethylethyl ester

tert-Butyl 4-[3-(3-nitrophenyl)ureido]piperidine-1-carboxylate

CAS: 1233958-27-4

Formula: C₁₇H₂₄N₄O₅

Purity: 95.0%

Molecular weight: 364.402

Ref: 10-F063567