C178H185F30N27O7S — CID 159841252
(1-benzylimidazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(2,5-dimethylpyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,6-dimethyl-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine;(1-methylimidazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(3-methylimidazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(3-methyl-2H-pyrrol-5-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4-methyl-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine;5-methyl-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine;3H-pyrrol-5-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,3-thiazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone (PubChem CID 159841252) has the molecular formula C178H185F30N27O7S and a molecular weight of 3416.63 g/mol. Its IUPAC name is (1-benzylimidazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(2,5-dimethylpyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,6-dimethyl-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine;(1-methylimidazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(3-methylimidazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(3-methyl-2H-pyrrol-5-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4-methyl-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine;5-methyl-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine;3H-pyrrol-5-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,3-thiazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone.
| Compound Name | (1-benzylimidazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(2,5-dimethylpyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,6-dimethyl-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine;(1-methylimidazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(3-methylimidazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(3-methyl-2H-pyrrol-5-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4-methyl-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine;5-methyl-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine;3H-pyrrol-5-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,3-thiazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone |
|---|---|
| PubChem CID | 159841252 |
| Molecular Formula | C178H185F30N27O7S |
| Molecular Weight | 3416.63 g/mol |
| Exact Mass | 3414.42 |
| IUPAC Name | (1-benzylimidazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(2,5-dimethylpyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,6-dimethyl-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine;(1-methylimidazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(3-methylimidazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(3-methyl-2H-pyrrol-5-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4-methyl-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine;5-methyl-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine;3H-pyrrol-5-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,3-thiazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone |
| SMILES | CC1=CC(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)=NC1.Cc1cc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)n(C)n1.Cc1cc(C)nc(N2CCC(c3ccccc3C(F)(F)F)CC2)n1.Cc1ccnc(N2CCC(c3ccccc3C(F)(F)F)CC2)n1.Cc1cnc(N2CCC(c3ccccc3C(F)(F)F)CC2)nc1.Cn1cnc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)c1.Cn1cncc1C(=O)N1CCC(c2ccccc2C(F)(F)F)CC1.O=C(C1=CCC=N1)N1CCC(c2ccccc2C(F)(F)F)CC1.O=C(c1cn(Cc2ccccc2)cn1)N1CCC(c2ccccc2C(F)(F)F)CC1.O=C(c1nccs1)N1CCC(c2ccccc2C(F)(F)F)CC1 |
| InChI | InChI=1S/C23H22F3N3O.C18H20F3N3O.C18H20F3N3.C18H19F3N2O.2C17H18F3N3O.2C17H18F3N3.C17H17F3N2O.C16H15F3N2OS/c24-23(25,26)20-9-5-4-8-19(20)18-10-12-29(13-11-18)22(30)21-15-28(16-27-21)14-17-6-2-1-3-7-17;1-12-11-16(23(2)22-12)17(25)24-9-7-13(8-10-24)14-5-3-4-6-15(14)18(19,20)21;1-12-11-13(2)23-17(22-12)24-9-7-14(8-10-24)15-5-3-4-6-16(15)18(19,20)21;1-12-10-16(22-11-12)17(24)23-8-6-13(7-9-23)14-4-2-3-5-15(14)18(19,20)21;1-22-10-15(21-11-22)16(24)23-8-6-12(7-9-23)13-4-2-3-5-14(13)17(18,19)20;1-22-11-21-10-15(22)16(24)23-8-6-12(7-9-23)13-4-2-3-5-14(13)17(18,19)20;1-12-6-9-21-16(22-12)23-10-7-13(8-11-23)14-4-2-3-5-15(14)17(18,19)20;1-12-10-21-16(22-11-12)23-8-6-13(7-9-23)14-4-2-3-5-15(14)17(18,19)20;18-17(19,20)14-5-2-1-4-13(14)12-7-10-22(11-8-12)16(23)15-6-3-9-21-15;17-16(18,19)13-4-2-1-3-12(13)11-5-8-21(9-6-11)15(22)14-20-7-10-23-14/h1-9,15-16,18H,10-14H2;3-6,11,13H,7-10H2,1-2H3;3-6,11,14H,7-10H2,1-2H3;2-5,10,13H,6-9,11H2,1H3;2*2-5,10-12H,6-9H2,1H3;2-6,9,13H,7-8,10-11H2,1H3;2-5,10-11,13H,6-9H2,1H3;1-2,4-6,9,12H,3,7-8,10-11H2;1-4,7,10-11H,5-6,8-9H2 |
| InChIKey | NORYNUHCDLNXCW-UHFFFAOYSA-N |
| XLogP | 40.29 |
| TPSA | 338.12 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 28 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 243 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3416.63 |
| LogP ≤ 5 | 40.29 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 28 |