Best fit values and estimated anti-proliferative activity values for the tested piperidinecarboxamides 24–47 according to the 3D-pharmacophore modeling.

Entry	Compd	HCT116			MCF7			A431
		Observed IC50, μM	Estimated IC50, μM	Fit value	Observed IC50, μM	Estimated IC50, μM	Fit value	Observed IC50, μM	Estimated IC50, μM	Fit value
1	24	1.08	0.86	6.951	1.83	2.25	6.069	2.49	3.77	7.029
2	25	1.03	1.03	6.874	2.09	2.80	5.975	2.51	1.25	7.508
3	26	1.43	1.00	6.885	2.48	2.62	6.002	2.83	1.21	7.524
4	27	1.61	0.69	7.043	2.95	2.64	5.999	2.56	2.58	7.194
5	28	1.31	1.43	6.731	2.58	2.19	6.082	2.58	3.74	7.032
6	29	0.70	0.93	6.917	1.33	2.93	5.954	1.29	2.31	7.242
7	30	0.58	0.72	7.029	1.13	2.59	6.008	0.64	1.56	7.412
8	31	1.03	1.75	6.643	1.44	2.89	5.960	1.24	2.02	7.300
9	32	1.04	2.31	6.521	2.35	3.14	5.924	1.31	1.65	7.387
10	33	1.13	1.27	6.780	2.14	3.08	5.933	1.45	3.86	7.019
11	34	0.56	0.88	6.942	2.34	2.03	6.114	1.27	2.42	7.221
12	35	0.56	0.70	7.040	1.36	1.82	6.162	1.2	1.46	7.442
13	36	0.62	0.62	7.094	1.71	1.84	6.156	1.31	1.84	7.341
14	37	0.57	0.49	7.198	2.32	2.21	6.077	1.18	1.62	7.396
15	38	0.56	0.48	7.203	2.16	2.46	6.030	1.33	1.46	7.440
16	39	1.44	2.05	6.574	3.96	3.74	5.848	2.57	3.62	7.046
17	40	2.73	1.43	6.730	5.1	3.04	5.939	4.9	1.87	7.333
18	41	2.26	2.02	6.581	4.58	3.85	5.836	2.64	3.58	7.052
19	42	22.98	11.50	5.824	4.9	3.21	5.914	8.75	5.18	6.891
20	43	1.23	1.18	6.814	3.96	2.76	5.981	2.72	2.61	7.189
21	44	1.11	2.43	6.500	4.17	3.45	5.883	2.85	1.60	7.401
22	45	1.38	1.19	6.808	5.85	3.10	5.929	11.35	5.11	6.897
23	46	1.50	1.24	6.791	5.73	3.65	5.859	8.83	5.26	6.885
24	47	1.29	2.98	6.411	4.89	3.72	5.850	7.98	3.07	7.118