C208H244F29N21O18 — CID 158450321
1-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(2-ethylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(2-phenylphenyl)piperazin-1-yl]ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]piperazin-1-yl]ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone (PubChem CID 158450321) has the molecular formula C208H244F29N21O18 and a molecular weight of 3877.31 g/mol. Its IUPAC name is 1-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(2-ethylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(2-phenylphenyl)piperazin-1-yl]ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]piperazin-1-yl]ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone.
| Compound Name | 1-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(2-ethylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(2-phenylphenyl)piperazin-1-yl]ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]piperazin-1-yl]ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone |
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| PubChem CID | 158450321 |
| Molecular Formula | C208H244F29N21O18 |
| Molecular Weight | 3877.31 g/mol |
| Exact Mass | 3874.84 |
| IUPAC Name | 1-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(2-ethylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(2-phenylphenyl)piperazin-1-yl]ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]piperazin-1-yl]ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone |
| SMILES | CCc1ccccc1N1CCN(C(=O)COC2CCC(Nc3ccc(C)c(C(F)(F)F)c3)CC2)CC1.COc1ccc(N2CCN(C(=O)COC3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1OC.Cc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccc(F)cc4F)CC3)CC2)cc1C(F)(F)F.Cc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccc(OCc5ccc(C(F)(F)F)cc5)cc4)CC3)CC2)cc1C(F)(F)F.Cc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccc(OCc5ccccc5)cc4)CC3)CC2)cc1C(F)(F)F.Cc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccccc4-c4ccccc4)CC3)CC2)cc1C(F)(F)F.Cc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccccc4C(F)(F)F)CC3)CC2)cc1C(F)(F)F |
| InChI | InChI=1S/C34H37F6N3O3.C33H38F3N3O3.C32H36F3N3O2.C28H36F3N3O4.C28H36F3N3O2.C27H31F6N3O2.C26H30F5N3O2/c1-23-2-7-27(20-31(23)34(38,39)40)41-26-8-12-29(13-9-26)46-22-32(44)43-18-16-42(17-19-43)28-10-14-30(15-11-28)45-21-24-3-5-25(6-4-24)33(35,36)37;1-24-7-8-27(21-31(24)33(34,35)36)37-26-9-13-29(14-10-26)42-23-32(40)39-19-17-38(18-20-39)28-11-15-30(16-12-28)41-22-25-5-3-2-4-6-25;1-23-11-12-26(21-29(23)32(33,34)35)36-25-13-15-27(16-14-25)40-22-31(39)38-19-17-37(18-20-38)30-10-6-5-9-28(30)24-7-3-2-4-8-24;1-19-4-5-21(16-24(19)28(29,30)31)32-20-6-9-23(10-7-20)38-18-27(35)34-14-12-33(13-15-34)22-8-11-25(36-2)26(17-22)37-3;1-3-21-6-4-5-7-26(21)33-14-16-34(17-15-33)27(35)19-36-24-12-10-22(11-13-24)32-23-9-8-20(2)25(18-23)28(29,30)31;1-18-6-7-20(16-23(18)27(31,32)33)34-19-8-10-21(11-9-19)38-17-25(37)36-14-12-35(13-15-36)24-5-3-2-4-22(24)26(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/h2-7,10-11,14-15,20,26,29,41H,8-9,12-13,16-19,21-22H2,1H3;2-8,11-12,15-16,21,26,29,37H,9-10,13-14,17-20,22-23H2,1H3;2-12,21,25,27,36H,13-20,22H2,1H3;4-5,8,11,16-17,20,23,32H,6-7,9-10,12-15,18H2,1-3H3;4-9,18,22,24,32H,3,10-17,19H2,1-2H3;2-7,16,19,21,34H,8-15,17H2,1H3;2-4,9,14-15,19,21,32H,5-8,10-13,16H2,1H3 |
| InChIKey | HDXASPNGSDLLOD-UHFFFAOYSA-N |
| XLogP | 43.44 |
| TPSA | 350.59 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 32 |
| Rotatable Bonds | 52 |
| Heavy Atoms | 276 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3877.31 |
| LogP ≤ 5 | 43.44 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 32 |
| Structural Alerts | {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'} |
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