1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-[4-isocyano-3-(trifluoromethyl)phenyl]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-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone

C243H287Cl7F36N28O18 — CID 159667237

IUPAC1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-[4-isocyano-3-(trifluoromethyl)phenyl]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-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
SMILESCc1ccc(N2CCN(C(=O)COC3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1.Cc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccc(C(C)(C)C)cc4)CC3)CC2)cc1C(F)(F)F.Cc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccc(Cl)c(C(F)(F)F)c4)CC3)CC2)cc1C(F)(F)F.Cc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccc(Cl)c(Cl)c4)CC3)CC2)cc1C(F)(F)F.Cc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccc(Cl)cc4)CC3)CC2)cc1C(F)(F)F.Cc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccc(Cl)cc4Cl)CC3)CC2)cc1C(F)(F)F.Cc1ccc(NC2CCC(OCC(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)CC2)cc1C(F)(F)F.Cc1ccc(NC2CCC(OCC(=O)N3CCN(c4cccc(Cl)c4)CC3)CC2)cc1C(F)(F)F.[C-]#[N+]c1ccc(N2CCN(C(=O)COC3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1C(F)(F)F
InChIInChI=1S/C30H40F3N3O2.C28H30F6N4O2.C27H30ClF6N3O2.C27H31F6N3O2.C27H34F3N3O2.2C26H30Cl2F3N3O2.2C26H31ClF3N3O2/c1-21-5-8-24(19-27(21)30(31,32)33)34-23-9-13-26(14-10-23)38-20-28(37)36-17-15-35(16-18-36)25-11-6-22(7-12-25)29(2,3)4;1-18-3-4-20(15-23(18)27(29,30)31)36-19-5-8-22(9-6-19)40-17-26(39)38-13-11-37(12-14-38)21-7-10-25(35-2)24(16-21)28(32,33)34;1-17-2-3-19(14-22(17)26(29,30)31)35-18-4-7-21(8-5-18)39-16-25(38)37-12-10-36(11-13-37)20-6-9-24(28)23(15-20)27(32,33)34;1-18-5-6-21(16-24(18)27(31,32)33)34-20-7-9-23(10-8-20)38-17-25(37)36-13-11-35(12-14-36)22-4-2-3-19(15-22)26(28,29)30;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;1-17-2-3-19(14-22(17)26(29,30)31)32-18-4-7-21(8-5-18)36-16-25(35)34-12-10-33(11-13-34)20-6-9-23(27)24(28)15-20;1-18-2-5-21(16-24(18)26(28,29)30)31-20-6-10-23(11-7-20)35-17-25(34)33-14-12-32(13-15-33)22-8-3-19(27)4-9-22;1-18-5-6-21(16-24(18)26(28,29)30)31-20-7-9-23(10-8-20)35-17-25(34)33-13-11-32(12-14-33)22-4-2-3-19(27)15-22/h5-8,11-12,19,23,26,34H,9-10,13-18,20H2,1-4H3;3-4,7,10,15-16,19,22,36H,5-6,8-9,11-14,17H2,1H3;2-3,6,9,14-15,18,21,35H,4-5,7-8,10-13,16H2,1H3;2-6,15-16,20,23,34H,7-14,17H2,1H3;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;2-3,6,9,14-15,18,21,32H,4-5,7-8,10-13,16H2,1H3;2-5,8-9,16,20,23,31H,6-7,10-15,17H2,1H3;2-6,15-16,20,23,31H,7-14,17H2,1H3
InChIKeyMTOHUVZOFGFFQQ-UHFFFAOYSA-N
MW4820.25 g/mol
LogP55.71
Rot. Bonds54

About 1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-[4-isocyano-3-(trifluoromethyl)phenyl]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-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone

1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-[4-isocyano-3-(trifluoromethyl)phenyl]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-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone (PubChem CID 159667237) has the molecular formula C243H287Cl7F36N28O18 and a molecular weight of 4820.25 g/mol. Its IUPAC name is 1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-[4-isocyano-3-(trifluoromethyl)phenyl]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-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-[4-isocyano-3-(trifluoromethyl)phenyl]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-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
PubChem CID159667237
Molecular FormulaC243H287Cl7F36N28O18
Molecular Weight4820.25 g/mol
Exact Mass4813.96
IUPAC Name1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-[4-isocyano-3-(trifluoromethyl)phenyl]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-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
SMILESCc1ccc(N2CCN(C(=O)COC3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1.Cc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccc(C(C)(C)C)cc4)CC3)CC2)cc1C(F)(F)F.Cc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccc(Cl)c(C(F)(F)F)c4)CC3)CC2)cc1C(F)(F)F.Cc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccc(Cl)c(Cl)c4)CC3)CC2)cc1C(F)(F)F.Cc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccc(Cl)cc4)CC3)CC2)cc1C(F)(F)F.Cc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccc(Cl)cc4Cl)CC3)CC2)cc1C(F)(F)F.Cc1ccc(NC2CCC(OCC(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)CC2)cc1C(F)(F)F.Cc1ccc(NC2CCC(OCC(=O)N3CCN(c4cccc(Cl)c4)CC3)CC2)cc1C(F)(F)F.[C-]#[N+]c1ccc(N2CCN(C(=O)COC3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1C(F)(F)F
InChIInChI=1S/C30H40F3N3O2.C28H30F6N4O2.C27H30ClF6N3O2.C27H31F6N3O2.C27H34F3N3O2.2C26H30Cl2F3N3O2.2C26H31ClF3N3O2/c1-21-5-8-24(19-27(21)30(31,32)33)34-23-9-13-26(14-10-23)38-20-28(37)36-17-15-35(16-18-36)25-11-6-22(7-12-25)29(2,3)4;1-18-3-4-20(15-23(18)27(29,30)31)36-19-5-8-22(9-6-19)40-17-26(39)38-13-11-37(12-14-38)21-7-10-25(35-2)24(16-21)28(32,33)34;1-17-2-3-19(14-22(17)26(29,30)31)35-18-4-7-21(8-5-18)39-16-25(38)37-12-10-36(11-13-37)20-6-9-24(28)23(15-20)27(32,33)34;1-18-5-6-21(16-24(18)27(31,32)33)34-20-7-9-23(10-8-20)38-17-25(37)36-13-11-35(12-14-36)22-4-2-3-19(15-22)26(28,29)30;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;1-17-2-3-19(14-22(17)26(29,30)31)32-18-4-7-21(8-5-18)36-16-25(35)34-12-10-33(11-13-34)20-6-9-23(27)24(28)15-20;1-18-2-5-21(16-24(18)26(28,29)30)31-20-6-10-23(11-7-20)35-17-25(34)33-14-12-32(13-15-33)22-8-3-19(27)4-9-22;1-18-5-6-21(16-24(18)26(28,29)30)31-20-7-9-23(10-8-20)35-17-25(34)33-13-11-32(12-14-33)22-4-2-3-19(27)15-22/h5-8,11-12,19,23,26,34H,9-10,13-18,20H2,1-4H3;3-4,7,10,15-16,19,22,36H,5-6,8-9,11-14,17H2,1H3;2-3,6,9,14-15,18,21,35H,4-5,7-8,10-13,16H2,1H3;2-6,15-16,20,23,34H,7-14,17H2,1H3;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;2-3,6,9,14-15,18,21,32H,4-5,7-8,10-13,16H2,1H3;2-5,8-9,16,20,23,31H,6-7,10-15,17H2,1H3;2-6,15-16,20,23,31H,7-14,17H2,1H3
InChIKeyMTOHUVZOFGFFQQ-UHFFFAOYSA-N
XLogP55.71
TPSA407.65 Ų
H-Bond Donors9
H-Bond Acceptors36
Rotatable Bonds54
Heavy Atoms332
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004820.25
LogP ≤ 555.71
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1036

Analyze 1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-[4-isocyano-3-(trifluoromethyl)phenyl]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-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-[4-isocyano-3-(trifluoromethyl)phenyl]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-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-[4-isocyano-3-(trifluoromethyl)phenyl]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-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone (CID 159667237) is 1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-[4-isocyano-3-(trifluoromethyl)phenyl]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-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-[4-isocyano-3-(trifluoromethyl)phenyl]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-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-[4-isocyano-3-(trifluoromethyl)phenyl]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-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone is Cc1ccc(N2CCN(C(=O)COC3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1.Cc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccc(C(C)(C)C)cc4)CC3)CC2)cc1C(F)(F)F.Cc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccc(Cl)c(C(F)(F)F)c4)CC3)CC2)cc1C(F)(F)F.Cc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccc(Cl)c(Cl)c4)CC3)CC2)cc1C(F)(F)F.Cc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccc(Cl)cc4)CC3)CC2)cc1C(F)(F)F.Cc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccc(Cl)cc4Cl)CC3)CC2)cc1C(F)(F)F.Cc1ccc(NC2CCC(OCC(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)CC2)cc1C(F)(F)F.Cc1ccc(NC2CCC(OCC(=O)N3CCN(c4cccc(Cl)c4)CC3)CC2)cc1C(F)(F)F.[C-]#[N+]c1ccc(N2CCN(C(=O)COC3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1C(F)(F)F.
What is the InChIKey of 1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-[4-isocyano-3-(trifluoromethyl)phenyl]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-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone?
The InChIKey is MTOHUVZOFGFFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40F3N3O2.C28H30F6N4O2.C27H30ClF6N3O2.C27H31F6N3O2.C27H34F3N3O2.2C26H30Cl2F3N3O2.2C26H31ClF3N3O2/c1-21-5-8-24(19-27(21)30(31,32)33)34-23-9-13-26(14-10-23)38-20-28(37)36-17-15-35(16-18-36)25-11-6-22(7-12-25)29(2,3)4;1-18-3-4-20(15-23(18)27(29,30)31)36-19-5-8-22(9-6-19)40-17-26(39)38-13-11-37(12-14-38)21-7-10-25(35-2)24(16-21)28(32,33)34;1-17-2-3-19(14-22(17)26(29,30)31)35-18-4-7-21(8-5-18)39-16-25(38)37-12-10-36(11-13-37)20-6-9-24(28)23(15-20)27(32,33)34;1-18-5-6-21(16-24(18)27(31,32)33)34-20-7-9-23(10-8-20)38-17-25(37)36-13-11-35(12-14-36)22-4-2-3-19(15-22)26(28,29)30;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;1-17-2-3-19(14-22(17)26(29,30)31)32-18-4-7-21(8-5-18)36-16-25(35)34-12-10-33(11-13-34)20-6-9-23(27)24(28)15-20;1-18-2-5-21(16-24(18)26(28,29)30)31-20-6-10-23(11-7-20)35-17-25(34)33-14-12-32(13-15-33)22-8-3-19(27)4-9-22;1-18-5-6-21(16-24(18)26(28,29)30)31-20-7-9-23(10-8-20)35-17-25(34)33-13-11-32(12-14-33)22-4-2-3-19(27)15-22/h5-8,11-12,19,23,26,34H,9-10,13-18,20H2,1-4H3;3-4,7,10,15-16,19,22,36H,5-6,8-9,11-14,17H2,1H3;2-3,6,9,14-15,18,21,35H,4-5,7-8,10-13,16H2,1H3;2-6,15-16,20,23,34H,7-14,17H2,1H3;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;2-3,6,9,14-15,18,21,32H,4-5,7-8,10-13,16H2,1H3;2-5,8-9,16,20,23,31H,6-7,10-15,17H2,1H3;2-6,15-16,20,23,31H,7-14,17H2,1H3.
What are the key properties of 1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-[4-isocyano-3-(trifluoromethyl)phenyl]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-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone?
1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-[4-isocyano-3-(trifluoromethyl)phenyl]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-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone has a molecular weight of 4820.25 g/mol, XLogP of 55.71, 54 rotatable bonds, 9 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-[4-isocyano-3-(trifluoromethyl)phenyl]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-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 159667237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).