1-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[2,5-dimethyl-4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[4-[N,4-dimethyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;1-[4-(4-methoxyphenyl)piperidin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-methyl-1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxypropan-1-one;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxypropan-1-one;1-[4-(4-methylphenyl)piperidin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-[4-(2-methylpropoxy)phenyl]piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-phenoxyphenyl)piperidin-1-yl]ethanone

C261H331F27N24O23 — CID 160951515

IUPAC1-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[2,5-dimethyl-4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[4-[N,4-dimethyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;1-[4-(4-methoxyphenyl)piperidin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-methyl-1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxypropan-1-one;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxypropan-1-one;1-[4-(4-methylphenyl)piperidin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-[4-(2-methylpropoxy)phenyl]piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-phenoxyphenyl)piperidin-1-yl]ethanone
SMILESCOc1ccc(C2CCN(C(=O)COC3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1.COc1ccc(N2CCN(C(=O)COC3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)c(OC)c1.Cc1ccc(C2CCN(C(=O)COC3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1.Cc1ccc(N2CC(C)N(C(=O)COC3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2C)cc1.Cc1ccc(N2CCN(C(=O)C(C)(C)OC3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1.Cc1ccc(N2CCN(C(=O)C(C)OC3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1.Cc1ccc(N2CCN(C(=O)COC3CCC(N(C)c4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1.Cc1ccc(NC2CCC(OCC(=O)N3CCC(c4ccc(Oc5ccccc5)cc4)CC3)CC2)cc1C(F)(F)F.Cc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccc(OCC(C)C)cc4)CC3)CC2)cc1C(F)(F)F
InChIInChI=1S/C33H37F3N2O3.C30H40F3N3O3.2C29H38F3N3O2.C28H36F3N3O4.2C28H36F3N3O2.C28H35F3N2O3.C28H35F3N2O2/c1-23-7-10-27(21-31(23)33(34,35)36)37-26-11-15-28(16-12-26)40-22-32(39)38-19-17-25(18-20-38)24-8-13-30(14-9-24)41-29-5-3-2-4-6-29;1-21(2)19-38-27-12-8-25(9-13-27)35-14-16-36(17-15-35)29(37)20-39-26-10-6-23(7-11-26)34-24-5-4-22(3)28(18-24)30(31,32)33;1-19-5-11-25(12-6-19)34-16-22(4)35(17-21(34)3)28(36)18-37-26-13-9-23(10-14-26)33-24-8-7-20(2)27(15-24)29(30,31)32;1-20-5-11-24(12-6-20)34-15-17-35(18-16-34)27(36)28(3,4)37-25-13-9-22(10-14-25)33-23-8-7-21(2)26(19-23)29(30,31)32;1-19-4-5-21(16-24(19)28(29,30)31)32-20-6-8-22(9-7-20)38-18-27(35)34-14-12-33(13-15-34)25-11-10-23(36-2)17-26(25)37-3;1-19-4-10-24(11-5-19)33-14-16-34(17-15-33)27(35)21(3)36-25-12-8-22(9-13-25)32-23-7-6-20(2)26(18-23)28(29,30)31;1-20-4-7-23(8-5-20)33-14-16-34(17-15-33)27(35)19-36-25-12-10-22(11-13-25)32(3)24-9-6-21(2)26(18-24)28(29,30)31;1-19-3-6-23(17-26(19)28(29,30)31)32-22-7-11-25(12-8-22)36-18-27(34)33-15-13-21(14-16-33)20-4-9-24(35-2)10-5-20;1-19-3-6-21(7-4-19)22-13-15-33(16-14-22)27(34)18-35-25-11-9-23(10-12-25)32-24-8-5-20(2)26(17-24)28(29,30)31/h2-10,13-14,21,25-26,28,37H,11-12,15-20,22H2,1H3;4-5,8-9,12-13,18,21,23,26,34H,6-7,10-11,14-17,19-20H2,1-3H3;5-8,11-12,15,21-23,26,33H,9-10,13-14,16-18H2,1-4H3;5-8,11-12,19,22,25,33H,9-10,13-18H2,1-4H3;4-5,10-11,16-17,20,22,32H,6-9,12-15,18H2,1-3H3;4-7,10-11,18,21-22,25,32H,8-9,12-17H2,1-3H3;4-9,18,22,25H,10-17,19H2,1-3H3;3-6,9-10,17,21-22,25,32H,7-8,11-16,18H2,1-2H3;3-8,17,22-23,25,32H,9-16,18H2,1-2H3
InChIKeySVVAYRGCJUZEMO-UHFFFAOYSA-N
MW4685.61 g/mol
LogP55.46
Rot. Bonds62

About 1-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[2,5-dimethyl-4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[4-[N,4-dimethyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;1-[4-(4-methoxyphenyl)piperidin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-methyl-1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxypropan-1-one;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxypropan-1-one;1-[4-(4-methylphenyl)piperidin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-[4-(2-methylpropoxy)phenyl]piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-phenoxyphenyl)piperidin-1-yl]ethanone

1-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[2,5-dimethyl-4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[4-[N,4-dimethyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;1-[4-(4-methoxyphenyl)piperidin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-methyl-1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxypropan-1-one;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxypropan-1-one;1-[4-(4-methylphenyl)piperidin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-[4-(2-methylpropoxy)phenyl]piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-phenoxyphenyl)piperidin-1-yl]ethanone (PubChem CID 160951515) has the molecular formula C261H331F27N24O23 and a molecular weight of 4685.61 g/mol. Its IUPAC name is 1-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[2,5-dimethyl-4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[4-[N,4-dimethyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;1-[4-(4-methoxyphenyl)piperidin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-methyl-1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxypropan-1-one;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxypropan-1-one;1-[4-(4-methylphenyl)piperidin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-[4-(2-methylpropoxy)phenyl]piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-phenoxyphenyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[2,5-dimethyl-4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[4-[N,4-dimethyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;1-[4-(4-methoxyphenyl)piperidin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-methyl-1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxypropan-1-one;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxypropan-1-one;1-[4-(4-methylphenyl)piperidin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-[4-(2-methylpropoxy)phenyl]piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-phenoxyphenyl)piperidin-1-yl]ethanone
PubChem CID160951515
Molecular FormulaC261H331F27N24O23
Molecular Weight4685.61 g/mol
Exact Mass4682.50
IUPAC Name1-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[2,5-dimethyl-4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[4-[N,4-dimethyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;1-[4-(4-methoxyphenyl)piperidin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-methyl-1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxypropan-1-one;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxypropan-1-one;1-[4-(4-methylphenyl)piperidin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-[4-(2-methylpropoxy)phenyl]piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-phenoxyphenyl)piperidin-1-yl]ethanone
SMILESCOc1ccc(C2CCN(C(=O)COC3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1.COc1ccc(N2CCN(C(=O)COC3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)c(OC)c1.Cc1ccc(C2CCN(C(=O)COC3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1.Cc1ccc(N2CC(C)N(C(=O)COC3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2C)cc1.Cc1ccc(N2CCN(C(=O)C(C)(C)OC3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1.Cc1ccc(N2CCN(C(=O)C(C)OC3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1.Cc1ccc(N2CCN(C(=O)COC3CCC(N(C)c4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1.Cc1ccc(NC2CCC(OCC(=O)N3CCC(c4ccc(Oc5ccccc5)cc4)CC3)CC2)cc1C(F)(F)F.Cc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccc(OCC(C)C)cc4)CC3)CC2)cc1C(F)(F)F
InChIInChI=1S/C33H37F3N2O3.C30H40F3N3O3.2C29H38F3N3O2.C28H36F3N3O4.2C28H36F3N3O2.C28H35F3N2O3.C28H35F3N2O2/c1-23-7-10-27(21-31(23)33(34,35)36)37-26-11-15-28(16-12-26)40-22-32(39)38-19-17-25(18-20-38)24-8-13-30(14-9-24)41-29-5-3-2-4-6-29;1-21(2)19-38-27-12-8-25(9-13-27)35-14-16-36(17-15-35)29(37)20-39-26-10-6-23(7-11-26)34-24-5-4-22(3)28(18-24)30(31,32)33;1-19-5-11-25(12-6-19)34-16-22(4)35(17-21(34)3)28(36)18-37-26-13-9-23(10-14-26)33-24-8-7-20(2)27(15-24)29(30,31)32;1-20-5-11-24(12-6-20)34-15-17-35(18-16-34)27(36)28(3,4)37-25-13-9-22(10-14-25)33-23-8-7-21(2)26(19-23)29(30,31)32;1-19-4-5-21(16-24(19)28(29,30)31)32-20-6-8-22(9-7-20)38-18-27(35)34-14-12-33(13-15-34)25-11-10-23(36-2)17-26(25)37-3;1-19-4-10-24(11-5-19)33-14-16-34(17-15-33)27(35)21(3)36-25-12-8-22(9-13-25)32-23-7-6-20(2)26(18-23)28(29,30)31;1-20-4-7-23(8-5-20)33-14-16-34(17-15-33)27(35)19-36-25-12-10-22(11-13-25)32(3)24-9-6-21(2)26(18-24)28(29,30)31;1-19-3-6-23(17-26(19)28(29,30)31)32-22-7-11-25(12-8-22)36-18-27(34)33-15-13-21(14-16-33)20-4-9-24(35-2)10-5-20;1-19-3-6-21(7-4-19)22-13-15-33(16-14-22)27(34)18-35-25-11-9-23(10-12-25)32-24-8-5-20(2)26(17-24)28(29,30)31/h2-10,13-14,21,25-26,28,37H,11-12,15-20,22H2,1H3;4-5,8-9,12-13,18,21,23,26,34H,6-7,10-11,14-17,19-20H2,1-3H3;5-8,11-12,15,21-23,26,33H,9-10,13-14,16-18H2,1-4H3;5-8,11-12,19,22,25,33H,9-10,13-18H2,1-4H3;4-5,10-11,16-17,20,22,32H,6-9,12-15,18H2,1-3H3;4-7,10-11,18,21-22,25,32H,8-9,12-17H2,1-3H3;4-9,18,22,25H,10-17,19H2,1-3H3;3-6,9-10,17,21-22,25,32H,7-8,11-16,18H2,1-2H3;3-8,17,22-23,25,32H,9-16,18H2,1-2H3
InChIKeySVVAYRGCJUZEMO-UHFFFAOYSA-N
XLogP55.46
TPSA430.93 Ų
H-Bond Donors8
H-Bond Acceptors38
Rotatable Bonds62
Heavy Atoms335
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004685.61
LogP ≤ 555.46
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1038

Analyze 1-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[2,5-dimethyl-4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[4-[N,4-dimethyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;1-[4-(4-methoxyphenyl)piperidin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-methyl-1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxypropan-1-one;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxypropan-1-one;1-[4-(4-methylphenyl)piperidin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-[4-(2-methylpropoxy)phenyl]piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-phenoxyphenyl)piperidin-1-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[2,5-dimethyl-4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[4-[N,4-dimethyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;1-[4-(4-methoxyphenyl)piperidin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-methyl-1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxypropan-1-one;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxypropan-1-one;1-[4-(4-methylphenyl)piperidin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-[4-(2-methylpropoxy)phenyl]piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-phenoxyphenyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[2,5-dimethyl-4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[4-[N,4-dimethyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;1-[4-(4-methoxyphenyl)piperidin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-methyl-1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxypropan-1-one;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxypropan-1-one;1-[4-(4-methylphenyl)piperidin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-[4-(2-methylpropoxy)phenyl]piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-phenoxyphenyl)piperidin-1-yl]ethanone (CID 160951515) is 1-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[2,5-dimethyl-4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[4-[N,4-dimethyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;1-[4-(4-methoxyphenyl)piperidin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-methyl-1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxypropan-1-one;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxypropan-1-one;1-[4-(4-methylphenyl)piperidin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-[4-(2-methylpropoxy)phenyl]piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-phenoxyphenyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[2,5-dimethyl-4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[4-[N,4-dimethyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;1-[4-(4-methoxyphenyl)piperidin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-methyl-1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxypropan-1-one;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxypropan-1-one;1-[4-(4-methylphenyl)piperidin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-[4-(2-methylpropoxy)phenyl]piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-phenoxyphenyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[2,5-dimethyl-4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[4-[N,4-dimethyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;1-[4-(4-methoxyphenyl)piperidin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-methyl-1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxypropan-1-one;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxypropan-1-one;1-[4-(4-methylphenyl)piperidin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-[4-(2-methylpropoxy)phenyl]piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-phenoxyphenyl)piperidin-1-yl]ethanone is COc1ccc(C2CCN(C(=O)COC3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1.COc1ccc(N2CCN(C(=O)COC3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)c(OC)c1.Cc1ccc(C2CCN(C(=O)COC3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1.Cc1ccc(N2CC(C)N(C(=O)COC3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2C)cc1.Cc1ccc(N2CCN(C(=O)C(C)(C)OC3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1.Cc1ccc(N2CCN(C(=O)C(C)OC3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1.Cc1ccc(N2CCN(C(=O)COC3CCC(N(C)c4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1.Cc1ccc(NC2CCC(OCC(=O)N3CCC(c4ccc(Oc5ccccc5)cc4)CC3)CC2)cc1C(F)(F)F.Cc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccc(OCC(C)C)cc4)CC3)CC2)cc1C(F)(F)F.
What is the InChIKey of 1-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[2,5-dimethyl-4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[4-[N,4-dimethyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;1-[4-(4-methoxyphenyl)piperidin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-methyl-1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxypropan-1-one;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxypropan-1-one;1-[4-(4-methylphenyl)piperidin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-[4-(2-methylpropoxy)phenyl]piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-phenoxyphenyl)piperidin-1-yl]ethanone?
The InChIKey is SVVAYRGCJUZEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37F3N2O3.C30H40F3N3O3.2C29H38F3N3O2.C28H36F3N3O4.2C28H36F3N3O2.C28H35F3N2O3.C28H35F3N2O2/c1-23-7-10-27(21-31(23)33(34,35)36)37-26-11-15-28(16-12-26)40-22-32(39)38-19-17-25(18-20-38)24-8-13-30(14-9-24)41-29-5-3-2-4-6-29;1-21(2)19-38-27-12-8-25(9-13-27)35-14-16-36(17-15-35)29(37)20-39-26-10-6-23(7-11-26)34-24-5-4-22(3)28(18-24)30(31,32)33;1-19-5-11-25(12-6-19)34-16-22(4)35(17-21(34)3)28(36)18-37-26-13-9-23(10-14-26)33-24-8-7-20(2)27(15-24)29(30,31)32;1-20-5-11-24(12-6-20)34-15-17-35(18-16-34)27(36)28(3,4)37-25-13-9-22(10-14-25)33-23-8-7-21(2)26(19-23)29(30,31)32;1-19-4-5-21(16-24(19)28(29,30)31)32-20-6-8-22(9-7-20)38-18-27(35)34-14-12-33(13-15-34)25-11-10-23(36-2)17-26(25)37-3;1-19-4-10-24(11-5-19)33-14-16-34(17-15-33)27(35)21(3)36-25-12-8-22(9-13-25)32-23-7-6-20(2)26(18-23)28(29,30)31;1-20-4-7-23(8-5-20)33-14-16-34(17-15-33)27(35)19-36-25-12-10-22(11-13-25)32(3)24-9-6-21(2)26(18-24)28(29,30)31;1-19-3-6-23(17-26(19)28(29,30)31)32-22-7-11-25(12-8-22)36-18-27(34)33-15-13-21(14-16-33)20-4-9-24(35-2)10-5-20;1-19-3-6-21(7-4-19)22-13-15-33(16-14-22)27(34)18-35-25-11-9-23(10-12-25)32-24-8-5-20(2)26(17-24)28(29,30)31/h2-10,13-14,21,25-26,28,37H,11-12,15-20,22H2,1H3;4-5,8-9,12-13,18,21,23,26,34H,6-7,10-11,14-17,19-20H2,1-3H3;5-8,11-12,15,21-23,26,33H,9-10,13-14,16-18H2,1-4H3;5-8,11-12,19,22,25,33H,9-10,13-18H2,1-4H3;4-5,10-11,16-17,20,22,32H,6-9,12-15,18H2,1-3H3;4-7,10-11,18,21-22,25,32H,8-9,12-17H2,1-3H3;4-9,18,22,25H,10-17,19H2,1-3H3;3-6,9-10,17,21-22,25,32H,7-8,11-16,18H2,1-2H3;3-8,17,22-23,25,32H,9-16,18H2,1-2H3.
What are the key properties of 1-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[2,5-dimethyl-4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[4-[N,4-dimethyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;1-[4-(4-methoxyphenyl)piperidin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-methyl-1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxypropan-1-one;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxypropan-1-one;1-[4-(4-methylphenyl)piperidin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-[4-(2-methylpropoxy)phenyl]piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-phenoxyphenyl)piperidin-1-yl]ethanone?
1-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[2,5-dimethyl-4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[4-[N,4-dimethyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;1-[4-(4-methoxyphenyl)piperidin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-methyl-1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxypropan-1-one;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxypropan-1-one;1-[4-(4-methylphenyl)piperidin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-[4-(2-methylpropoxy)phenyl]piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-phenoxyphenyl)piperidin-1-yl]ethanone has a molecular weight of 4685.61 g/mol, XLogP of 55.46, 62 rotatable bonds, 8 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[2,5-dimethyl-4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[4-[N,4-dimethyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;1-[4-(4-methoxyphenyl)piperidin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-methyl-1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxypropan-1-one;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxypropan-1-one;1-[4-(4-methylphenyl)piperidin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-[4-(2-methylpropoxy)phenyl]piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-phenoxyphenyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 160951515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).