An eco-friendly and efficient method for synthesizing N-(4-chlorophenyl)-2,6-bis(4-hydroxyphenyl)-4-oxopiperidine-3-carboxamide is presented, involving the condensation of 4-chloroacetoacetanilide with 4-hydroxybenzaldehyde using ammonium formate as a catalyst. This approach enhances reaction efficiency while reducing environmental impact. The product structure was extensively characterized using FT-IR spectroscopy, ¹H and ¹³C NMR spectroscopy, elemental analysis, and DFT simulations, which provided insights into molecular geometry, electronic distribution, and stability. Molecular docking studies revealed potential interactions with biological targets, highlighting possible therapeutic applications. © 2025 Elsevier B.V., All rights reserved.