N-Cyclohexylcarbamoyl-3-isopropyl-2,6-bis(phenyl)piperidin-4-one (1) and N-Cyclohexylcarbamoyl-3,3-dimethyl-2,6-bis(4-fluorophenyl)piperidin-4-one (2) were synthesized and characterized by IR, ¹H NMR, ¹³C NMR, HOMOCOSY, NOESY, HSQC and HMBC. Single crystal X-ray diffraction study was performed for 1 and 2. Both the compounds (1 and 2) crystallized in triclinic crystal system with P-1 space group. From the XRD analysis results it is observed that the conformation of the heterocyclic ring in 1 and 2 is twist boat. The computational study was performed and the structures were optimized using DFT–B3LYP with the 6-31G basis set. Hirshfeld surface analysis was also carried out and the contributing intermolecular interactions which stabilizes the crystal structures are quantified. It exemplifies the predominant contribution of van der Waals interaction in the packing of both the crystal structures. Cyclic voltammetric studies were also performed and discussed. From the CV analysis it is observed that 2 exhibit the high specific capacitance value even at higher scan rate.

N-环己基氨基甲酰基-3-异丙基-2,6-双(苯基)哌啶-4-one (1)和N-环己基氨基甲酰基-3,3-二甲基-2,6-双(4-氟苯基)哌啶-4-one (2)通过IR、¹ H NMR、¹³ C NMR、HOMOCOSY、NOESY、HSQC和HMBC进行合成和表征。对1和2进行单晶X射线衍射研究。化合物(1和2)均在具有P -1 空间群的三斜晶系中结晶。从 XRD 分析结果可以看出，1和2 中杂环的构象是扭船。进行了计算研究并使用 DFT – B3LYP 和 6 - 31G 基组优化了结构。还进行了 Hirshfeld 表面分析，并对稳定晶体结构的分子间相互作用进行了量化。它举例说明了范德华相互作用在两种晶体结构的堆积中的主要贡献。还进行和讨论了循环伏安研究。从 CV 分析可以看出，即使在更高的扫描速率下，2 也表现出高比电容值。