C249H305ClF28N28O20 — CID 158402156
1-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(2,4-dimethylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(4-isocyanophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-phenylphenyl)piperazin-1-yl]ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]ethanone (PubChem CID 158402156) has the molecular formula C249H305ClF28N28O20 and a molecular weight of 4577.75 g/mol. Its IUPAC name is 1-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(2,4-dimethylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(4-isocyanophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-phenylphenyl)piperazin-1-yl]ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]ethanone.
| Compound Name | 1-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(2,4-dimethylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(4-isocyanophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-phenylphenyl)piperazin-1-yl]ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]ethanone |
|---|---|
| PubChem CID | 158402156 |
| Molecular Formula | C249H305ClF28N28O20 |
| Molecular Weight | 4577.75 g/mol |
| Exact Mass | 4574.30 |
| IUPAC Name | 1-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(2,4-dimethylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(4-isocyanophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-phenylphenyl)piperazin-1-yl]ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]ethanone |
| SMILES | COc1ccc(N2CCN(C(=O)COC3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1.COc1cccc(N2CCN(C(=O)COC3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)c1.Cc1cc(C)c(N2CCN(C(=O)COC3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)c(C)c1.Cc1ccc(N2CCN(C(=O)COC3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)c(C)c1.Cc1ccc(N2CCN(C(=O)COC3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1.Cc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccc(-c5ccccc5)cc4)CC3)CC2)cc1C(F)(F)F.Cc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccc(Cl)cc4F)CC3)CC2)cc1C(F)(F)F.Cc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccccc4)CC3)CC2)cc1C(F)(F)F.[C-]#[N+]c1ccc(N2CCN(C(=O)COC3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1 |
| InChI | InChI=1S/C32H36F3N3O2.C29H38F3N3O2.C28H36F3N3O2.C27H31F3N4O2.2C27H34F3N3O3.C27H34F3N3O2.C26H30ClF4N3O2.C26H32F3N3O2/c1-23-7-10-27(21-30(23)32(33,34)35)36-26-11-15-29(16-12-26)40-22-31(39)38-19-17-37(18-20-38)28-13-8-25(9-14-28)24-5-3-2-4-6-24;1-19-15-21(3)28(22(4)16-19)35-13-11-34(12-14-35)27(36)18-37-25-9-7-23(8-10-25)33-24-6-5-20(2)26(17-24)29(30,31)32;1-19-4-11-26(21(3)16-19)33-12-14-34(15-13-33)27(35)18-36-24-9-7-22(8-10-24)32-23-6-5-20(2)25(17-23)28(29,30)31;1-19-3-4-22(17-25(19)27(28,29)30)32-21-7-11-24(12-8-21)36-18-26(35)34-15-13-33(14-16-34)23-9-5-20(31-2)6-10-23;1-19-3-4-21(17-25(19)27(28,29)30)31-20-5-9-24(10-6-20)36-18-26(34)33-15-13-32(14-16-33)22-7-11-23(35-2)12-8-22;1-19-6-7-21(16-25(19)27(28,29)30)31-20-8-10-23(11-9-20)36-18-26(34)33-14-12-32(13-15-33)22-4-3-5-24(17-22)35-2;1-19-3-9-23(10-4-19)32-13-15-33(16-14-32)26(34)18-35-24-11-7-21(8-12-24)31-22-6-5-20(2)25(17-22)27(28,29)30;1-17-2-4-20(15-22(17)26(29,30)31)32-19-5-7-21(8-6-19)36-16-25(35)34-12-10-33(11-13-34)24-9-3-18(27)14-23(24)28;1-19-7-8-21(17-24(19)26(27,28)29)30-20-9-11-23(12-10-20)34-18-25(33)32-15-13-31(14-16-32)22-5-3-2-4-6-22/h2-10,13-14,21,26,29,36H,11-12,15-20,22H2,1H3;5-6,15-17,23,25,33H,7-14,18H2,1-4H3;4-6,11,16-17,22,24,32H,7-10,12-15,18H2,1-3H3;3-6,9-10,17,21,24,32H,7-8,11-16,18H2,1H3;3-4,7-8,11-12,17,20,24,31H,5-6,9-10,13-16,18H2,1-2H3;3-7,16-17,20,23,31H,8-15,18H2,1-2H3;3-6,9-10,17,21,24,31H,7-8,11-16,18H2,1-2H3;2-4,9,14-15,19,21,32H,5-8,10-13,16H2,1H3;2-8,17,20,23,30H,9-16,18H2,1H3 |
| InChIKey | GYFVDNLORMPDGK-UHFFFAOYSA-N |
| XLogP | 50.80 |
| TPSA | 426.11 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 38 |
| Rotatable Bonds | 57 |
| Heavy Atoms | 326 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4577.75 |
| LogP ≤ 5 | 50.80 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 38 |