4-methyl-N-[4-[(4-phenylpiperazin-1-yl)sulfonylmethoxy]cyclohexyl]-3-(trifluoromethyl)aniline;2-[3-[4-methyl-3-(trifluoromethyl)anilino]cyclobutyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(2-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(5-phenyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenyl-1,4-diazepan-1-yl)ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(2,3,4-trimethylphenyl)piperazin-1-yl]ethanone;2-[4-[[5-methyl-6-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-[[5-methyl-4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone

C209H259F24N27O17S — CID 157168449

IUPAC4-methyl-N-[4-[(4-phenylpiperazin-1-yl)sulfonylmethoxy]cyclohexyl]-3-(trifluoromethyl)aniline;2-[3-[4-methyl-3-(trifluoromethyl)anilino]cyclobutyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(2-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(5-phenyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenyl-1,4-diazepan-1-yl)ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(2,3,4-trimethylphenyl)piperazin-1-yl]ethanone;2-[4-[[5-methyl-6-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-[[5-methyl-4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone
SMILESCc1ccc(NC2CC(OCC(=O)N3CCN(c4ccccc4)CC3)C2)cc1C(F)(F)F.Cc1ccc(NC2CCC(OCC(=O)N3CC4CC3CN4c3ccccc3)CC2)cc1C(F)(F)F.Cc1ccc(NC2CCC(OCC(=O)N3CC4CN(c5ccccc5)CC4C3)CC2)cc1C(F)(F)F.Cc1ccc(NC2CCC(OCC(=O)N3CCCN(c4ccccc4)CC3)CC2)cc1C(F)(F)F.Cc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccc(C)c(C)c4C)CC3)CC2)cc1C(F)(F)F.Cc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccccc4)CC3)CC2)nc1C(F)(F)F.Cc1ccc(NC2CCC(OCS(=O)(=O)N3CCN(c4ccccc4)CC3)CC2)cc1C(F)(F)F.Cc1cnc(NC2CCC(OCC(=O)N3CCN(c4ccccc4)CC3)CC2)nc1C(F)(F)F
InChIInChI=1S/C29H38F3N3O2.C28H34F3N3O2.C27H32F3N3O2.C27H34F3N3O2.C25H31F3N4O2.C25H32F3N3O3S.C24H30F3N5O2.C24H28F3N3O2/c1-19-6-12-27(22(4)21(19)3)34-13-15-35(16-14-34)28(36)18-37-25-10-8-23(9-11-25)33-24-7-5-20(2)26(17-24)29(30,31)32;1-19-7-8-23(13-26(19)28(29,30)31)32-22-9-11-25(12-10-22)36-18-27(35)34-16-20-14-33(15-21(20)17-34)24-5-3-2-4-6-24;1-18-7-8-20(13-25(18)27(28,29)30)31-19-9-11-24(12-10-19)35-17-26(34)33-16-22-14-23(33)15-32(22)21-5-3-2-4-6-21;1-20-8-9-22(18-25(20)27(28,29)30)31-21-10-12-24(13-11-21)35-19-26(34)33-15-5-14-32(16-17-33)23-6-3-2-4-7-23;1-18-7-12-22(30-24(18)25(26,27)28)29-19-8-10-21(11-9-19)34-17-23(33)32-15-13-31(14-16-32)20-5-3-2-4-6-20;1-19-7-8-21(17-24(19)25(26,27)28)29-20-9-11-23(12-10-20)34-18-35(32,33)31-15-13-30(14-16-31)22-5-3-2-4-6-22;1-17-15-28-23(30-22(17)24(25,26)27)29-18-7-9-20(10-8-18)34-16-21(33)32-13-11-31(12-14-32)19-5-3-2-4-6-19;1-17-7-8-18(15-22(17)24(25,26)27)28-19-13-21(14-19)32-16-23(31)30-11-9-29(10-12-30)20-5-3-2-4-6-20/h5-7,12,17,23,25,33H,8-11,13-16,18H2,1-4H3;2-8,13,20-22,25,32H,9-12,14-18H2,1H3;2-8,13,19,22-24,31H,9-12,14-17H2,1H3;2-4,6-9,18,21,24,31H,5,10-17,19H2,1H3;2-7,12,19,21H,8-11,13-17H2,1H3,(H,29,30);2-8,17,20,23,29H,9-16,18H2,1H3;2-6,15,18,20H,7-14,16H2,1H3,(H,28,29,30);2-8,15,19,21,28H,9-14,16H2,1H3
InChIKeyANENWUQAKWMUFJ-UHFFFAOYSA-N
MW3909.56 g/mol
LogP39.69
Rot. Bonds49

About 4-methyl-N-[4-[(4-phenylpiperazin-1-yl)sulfonylmethoxy]cyclohexyl]-3-(trifluoromethyl)aniline;2-[3-[4-methyl-3-(trifluoromethyl)anilino]cyclobutyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(2-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(5-phenyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenyl-1,4-diazepan-1-yl)ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(2,3,4-trimethylphenyl)piperazin-1-yl]ethanone;2-[4-[[5-methyl-6-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-[[5-methyl-4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone

4-methyl-N-[4-[(4-phenylpiperazin-1-yl)sulfonylmethoxy]cyclohexyl]-3-(trifluoromethyl)aniline;2-[3-[4-methyl-3-(trifluoromethyl)anilino]cyclobutyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(2-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(5-phenyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenyl-1,4-diazepan-1-yl)ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(2,3,4-trimethylphenyl)piperazin-1-yl]ethanone;2-[4-[[5-methyl-6-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-[[5-methyl-4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone (PubChem CID 157168449) has the molecular formula C209H259F24N27O17S and a molecular weight of 3909.56 g/mol. Its IUPAC name is 4-methyl-N-[4-[(4-phenylpiperazin-1-yl)sulfonylmethoxy]cyclohexyl]-3-(trifluoromethyl)aniline;2-[3-[4-methyl-3-(trifluoromethyl)anilino]cyclobutyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(2-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(5-phenyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenyl-1,4-diazepan-1-yl)ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(2,3,4-trimethylphenyl)piperazin-1-yl]ethanone;2-[4-[[5-methyl-6-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-[[5-methyl-4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name4-methyl-N-[4-[(4-phenylpiperazin-1-yl)sulfonylmethoxy]cyclohexyl]-3-(trifluoromethyl)aniline;2-[3-[4-methyl-3-(trifluoromethyl)anilino]cyclobutyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(2-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(5-phenyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenyl-1,4-diazepan-1-yl)ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(2,3,4-trimethylphenyl)piperazin-1-yl]ethanone;2-[4-[[5-methyl-6-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-[[5-methyl-4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone
PubChem CID157168449
Molecular FormulaC209H259F24N27O17S
Molecular Weight3909.56 g/mol
Exact Mass3906.96
IUPAC Name4-methyl-N-[4-[(4-phenylpiperazin-1-yl)sulfonylmethoxy]cyclohexyl]-3-(trifluoromethyl)aniline;2-[3-[4-methyl-3-(trifluoromethyl)anilino]cyclobutyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(2-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(5-phenyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenyl-1,4-diazepan-1-yl)ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(2,3,4-trimethylphenyl)piperazin-1-yl]ethanone;2-[4-[[5-methyl-6-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-[[5-methyl-4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone
SMILESCc1ccc(NC2CC(OCC(=O)N3CCN(c4ccccc4)CC3)C2)cc1C(F)(F)F.Cc1ccc(NC2CCC(OCC(=O)N3CC4CC3CN4c3ccccc3)CC2)cc1C(F)(F)F.Cc1ccc(NC2CCC(OCC(=O)N3CC4CN(c5ccccc5)CC4C3)CC2)cc1C(F)(F)F.Cc1ccc(NC2CCC(OCC(=O)N3CCCN(c4ccccc4)CC3)CC2)cc1C(F)(F)F.Cc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccc(C)c(C)c4C)CC3)CC2)cc1C(F)(F)F.Cc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccccc4)CC3)CC2)nc1C(F)(F)F.Cc1ccc(NC2CCC(OCS(=O)(=O)N3CCN(c4ccccc4)CC3)CC2)cc1C(F)(F)F.Cc1cnc(NC2CCC(OCC(=O)N3CCN(c4ccccc4)CC3)CC2)nc1C(F)(F)F
InChIInChI=1S/C29H38F3N3O2.C28H34F3N3O2.C27H32F3N3O2.C27H34F3N3O2.C25H31F3N4O2.C25H32F3N3O3S.C24H30F3N5O2.C24H28F3N3O2/c1-19-6-12-27(22(4)21(19)3)34-13-15-35(16-14-34)28(36)18-37-25-10-8-23(9-11-25)33-24-7-5-20(2)26(17-24)29(30,31)32;1-19-7-8-23(13-26(19)28(29,30)31)32-22-9-11-25(12-10-22)36-18-27(35)34-16-20-14-33(15-21(20)17-34)24-5-3-2-4-6-24;1-18-7-8-20(13-25(18)27(28,29)30)31-19-9-11-24(12-10-19)35-17-26(34)33-16-22-14-23(33)15-32(22)21-5-3-2-4-6-21;1-20-8-9-22(18-25(20)27(28,29)30)31-21-10-12-24(13-11-21)35-19-26(34)33-15-5-14-32(16-17-33)23-6-3-2-4-7-23;1-18-7-12-22(30-24(18)25(26,27)28)29-19-8-10-21(11-9-19)34-17-23(33)32-15-13-31(14-16-32)20-5-3-2-4-6-20;1-19-7-8-21(17-24(19)25(26,27)28)29-20-9-11-23(12-10-20)34-18-35(32,33)31-15-13-30(14-16-31)22-5-3-2-4-6-22;1-17-15-28-23(30-22(17)24(25,26)27)29-18-7-9-20(10-8-18)34-16-21(33)32-13-11-31(12-14-32)19-5-3-2-4-6-19;1-17-7-8-18(15-22(17)24(25,26)27)28-19-13-21(14-19)32-16-23(31)30-11-9-29(10-12-30)20-5-3-2-4-6-20/h5-7,12,17,23,25,33H,8-11,13-16,18H2,1-4H3;2-8,13,20-22,25,32H,9-12,14-18H2,1H3;2-8,13,19,22-24,31H,9-12,14-17H2,1H3;2-4,6-9,18,21,24,31H,5,10-17,19H2,1H3;2-7,12,19,21H,8-11,13-17H2,1H3,(H,29,30);2-8,17,20,23,29H,9-16,18H2,1H3;2-6,15,18,20H,7-14,16H2,1H3,(H,28,29,30);2-8,15,19,21,28H,9-14,16H2,1H3
InChIKeyANENWUQAKWMUFJ-UHFFFAOYSA-N
XLogP39.69
TPSA414.22 Ų
H-Bond Donors8
H-Bond Acceptors36
Rotatable Bonds49
Heavy Atoms278
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003909.56
LogP ≤ 539.69
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1036

Analyze 4-methyl-N-[4-[(4-phenylpiperazin-1-yl)sulfonylmethoxy]cyclohexyl]-3-(trifluoromethyl)aniline;2-[3-[4-methyl-3-(trifluoromethyl)anilino]cyclobutyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(2-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(5-phenyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenyl-1,4-diazepan-1-yl)ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(2,3,4-trimethylphenyl)piperazin-1-yl]ethanone;2-[4-[[5-methyl-6-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-[[5-methyl-4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone with MolForge

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Related Compounds

1-[4-(3-tert-butylanilino)piperidin-1-yl]ethanone;4-tert-butyl-2-[(1-methylpiperidin-4-yl)methyl]pyridine;3-tert-butyl-5-(oxolan-3-ylmethyl)pyridine;(3S)-4-[(3-tert-butylphenyl)methyl]-3-methyloxane;(3R)-4-[(3-tert-butylphenyl)methyl]-3-methyloxane;4-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpiperidine;4-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine;N-(4-tert-butyl-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine;1-[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone;1-[3-[(6-tert-butylpyrimidin-4-yl)methyl]pyrrolidin-1-yl]ethanone;4-tert-butyl-6-(pyrrolidin-3-ylmethyl)pyrimidine;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine
CID 158054056
4-methyl-N-[4-[(4-phenylpiperazin-1-yl)sulfonylmethoxy]cyclohexyl]-3-(trifluoromethyl)aniline;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenyl-1,4-diazepan-1-yl)ethanone;2-[4-[[5-methyl-6-(trifluoromethyl)pyrazin-2-yl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-[[5-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-[[5-methyl-6-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-[[6-methyl-5-(trifluoromethyl)-3-pyridinyl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-[[5-methyl-4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone
CID 158903026
CID 160282748
CID 160282748

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-[(4-phenylpiperazin-1-yl)sulfonylmethoxy]cyclohexyl]-3-(trifluoromethyl)aniline;2-[3-[4-methyl-3-(trifluoromethyl)anilino]cyclobutyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(2-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(5-phenyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenyl-1,4-diazepan-1-yl)ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(2,3,4-trimethylphenyl)piperazin-1-yl]ethanone;2-[4-[[5-methyl-6-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-[[5-methyl-4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone?
The IUPAC name of 4-methyl-N-[4-[(4-phenylpiperazin-1-yl)sulfonylmethoxy]cyclohexyl]-3-(trifluoromethyl)aniline;2-[3-[4-methyl-3-(trifluoromethyl)anilino]cyclobutyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(2-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(5-phenyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenyl-1,4-diazepan-1-yl)ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(2,3,4-trimethylphenyl)piperazin-1-yl]ethanone;2-[4-[[5-methyl-6-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-[[5-methyl-4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone (CID 157168449) is 4-methyl-N-[4-[(4-phenylpiperazin-1-yl)sulfonylmethoxy]cyclohexyl]-3-(trifluoromethyl)aniline;2-[3-[4-methyl-3-(trifluoromethyl)anilino]cyclobutyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(2-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(5-phenyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenyl-1,4-diazepan-1-yl)ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(2,3,4-trimethylphenyl)piperazin-1-yl]ethanone;2-[4-[[5-methyl-6-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-[[5-methyl-4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone.
What is the SMILES notation for 4-methyl-N-[4-[(4-phenylpiperazin-1-yl)sulfonylmethoxy]cyclohexyl]-3-(trifluoromethyl)aniline;2-[3-[4-methyl-3-(trifluoromethyl)anilino]cyclobutyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(2-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(5-phenyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenyl-1,4-diazepan-1-yl)ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(2,3,4-trimethylphenyl)piperazin-1-yl]ethanone;2-[4-[[5-methyl-6-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-[[5-methyl-4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone?
The canonical SMILES for 4-methyl-N-[4-[(4-phenylpiperazin-1-yl)sulfonylmethoxy]cyclohexyl]-3-(trifluoromethyl)aniline;2-[3-[4-methyl-3-(trifluoromethyl)anilino]cyclobutyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(2-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(5-phenyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenyl-1,4-diazepan-1-yl)ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(2,3,4-trimethylphenyl)piperazin-1-yl]ethanone;2-[4-[[5-methyl-6-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-[[5-methyl-4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone is Cc1ccc(NC2CC(OCC(=O)N3CCN(c4ccccc4)CC3)C2)cc1C(F)(F)F.Cc1ccc(NC2CCC(OCC(=O)N3CC4CC3CN4c3ccccc3)CC2)cc1C(F)(F)F.Cc1ccc(NC2CCC(OCC(=O)N3CC4CN(c5ccccc5)CC4C3)CC2)cc1C(F)(F)F.Cc1ccc(NC2CCC(OCC(=O)N3CCCN(c4ccccc4)CC3)CC2)cc1C(F)(F)F.Cc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccc(C)c(C)c4C)CC3)CC2)cc1C(F)(F)F.Cc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccccc4)CC3)CC2)nc1C(F)(F)F.Cc1ccc(NC2CCC(OCS(=O)(=O)N3CCN(c4ccccc4)CC3)CC2)cc1C(F)(F)F.Cc1cnc(NC2CCC(OCC(=O)N3CCN(c4ccccc4)CC3)CC2)nc1C(F)(F)F.
What is the InChIKey of 4-methyl-N-[4-[(4-phenylpiperazin-1-yl)sulfonylmethoxy]cyclohexyl]-3-(trifluoromethyl)aniline;2-[3-[4-methyl-3-(trifluoromethyl)anilino]cyclobutyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(2-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(5-phenyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenyl-1,4-diazepan-1-yl)ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(2,3,4-trimethylphenyl)piperazin-1-yl]ethanone;2-[4-[[5-methyl-6-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-[[5-methyl-4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone?
The InChIKey is ANENWUQAKWMUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38F3N3O2.C28H34F3N3O2.C27H32F3N3O2.C27H34F3N3O2.C25H31F3N4O2.C25H32F3N3O3S.C24H30F3N5O2.C24H28F3N3O2/c1-19-6-12-27(22(4)21(19)3)34-13-15-35(16-14-34)28(36)18-37-25-10-8-23(9-11-25)33-24-7-5-20(2)26(17-24)29(30,31)32;1-19-7-8-23(13-26(19)28(29,30)31)32-22-9-11-25(12-10-22)36-18-27(35)34-16-20-14-33(15-21(20)17-34)24-5-3-2-4-6-24;1-18-7-8-20(13-25(18)27(28,29)30)31-19-9-11-24(12-10-19)35-17-26(34)33-16-22-14-23(33)15-32(22)21-5-3-2-4-6-21;1-20-8-9-22(18-25(20)27(28,29)30)31-21-10-12-24(13-11-21)35-19-26(34)33-15-5-14-32(16-17-33)23-6-3-2-4-7-23;1-18-7-12-22(30-24(18)25(26,27)28)29-19-8-10-21(11-9-19)34-17-23(33)32-15-13-31(14-16-32)20-5-3-2-4-6-20;1-19-7-8-21(17-24(19)25(26,27)28)29-20-9-11-23(12-10-20)34-18-35(32,33)31-15-13-30(14-16-31)22-5-3-2-4-6-22;1-17-15-28-23(30-22(17)24(25,26)27)29-18-7-9-20(10-8-18)34-16-21(33)32-13-11-31(12-14-32)19-5-3-2-4-6-19;1-17-7-8-18(15-22(17)24(25,26)27)28-19-13-21(14-19)32-16-23(31)30-11-9-29(10-12-30)20-5-3-2-4-6-20/h5-7,12,17,23,25,33H,8-11,13-16,18H2,1-4H3;2-8,13,20-22,25,32H,9-12,14-18H2,1H3;2-8,13,19,22-24,31H,9-12,14-17H2,1H3;2-4,6-9,18,21,24,31H,5,10-17,19H2,1H3;2-7,12,19,21H,8-11,13-17H2,1H3,(H,29,30);2-8,17,20,23,29H,9-16,18H2,1H3;2-6,15,18,20H,7-14,16H2,1H3,(H,28,29,30);2-8,15,19,21,28H,9-14,16H2,1H3.
What are the key properties of 4-methyl-N-[4-[(4-phenylpiperazin-1-yl)sulfonylmethoxy]cyclohexyl]-3-(trifluoromethyl)aniline;2-[3-[4-methyl-3-(trifluoromethyl)anilino]cyclobutyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(2-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(5-phenyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenyl-1,4-diazepan-1-yl)ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(2,3,4-trimethylphenyl)piperazin-1-yl]ethanone;2-[4-[[5-methyl-6-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-[[5-methyl-4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone?
4-methyl-N-[4-[(4-phenylpiperazin-1-yl)sulfonylmethoxy]cyclohexyl]-3-(trifluoromethyl)aniline;2-[3-[4-methyl-3-(trifluoromethyl)anilino]cyclobutyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(2-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(5-phenyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenyl-1,4-diazepan-1-yl)ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(2,3,4-trimethylphenyl)piperazin-1-yl]ethanone;2-[4-[[5-methyl-6-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-[[5-methyl-4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone has a molecular weight of 3909.56 g/mol, XLogP of 39.69, 49 rotatable bonds, 8 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-[(4-phenylpiperazin-1-yl)sulfonylmethoxy]cyclohexyl]-3-(trifluoromethyl)aniline;2-[3-[4-methyl-3-(trifluoromethyl)anilino]cyclobutyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(2-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(5-phenyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenyl-1,4-diazepan-1-yl)ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(2,3,4-trimethylphenyl)piperazin-1-yl]ethanone;2-[4-[[5-methyl-6-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-[[5-methyl-4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone is sourced from PubChem (CID 157168449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).