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

C175H219F21N28O15S — CID 158903026

IUPAC4-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
SMILESCc1ccc(NC2CCC(OCC(=O)N3CCCN(c4ccccc4)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)cc1C(F)(F)F.Cc1cnc(NC2CCC(OCC(=O)N3CCN(c4ccccc4)CC3)CC2)nc1C(F)(F)F.Cc1ncc(NC2CCC(OCC(=O)N3CCN(c4ccccc4)CC3)CC2)cc1C(F)(F)F.Cc1ncc(NC2CCC(OCC(=O)N3CCN(c4ccccc4)CC3)CC2)nc1C(F)(F)F
InChIInChI=1S/C27H34F3N3O2.3C25H31F3N4O2.C25H32F3N3O3S.2C24H30F3N5O2/c1-20-8-9-22(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;1-18-23(25(26,27)28)15-20(16-29-18)30-19-7-9-22(10-8-19)34-17-24(33)32-13-11-31(12-14-32)21-5-3-2-4-6-21;1-18-16-29-23(15-22(18)25(26,27)28)30-19-7-9-21(10-8-19)34-17-24(33)32-13-11-31(12-14-32)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;1-17-23(24(25,26)27)30-21(15-28-17)29-18-7-9-20(10-8-18)34-16-22(33)32-13-11-31(12-14-32)19-5-3-2-4-6-19;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/h2-4,6-9,18,21,24,31H,5,10-17,19H2,1H3;2-7,12,19,21H,8-11,13-17H2,1H3,(H,29,30);2-6,15-16,19,22,30H,7-14,17H2,1H3;2-6,15-16,19,21H,7-14,17H2,1H3,(H,29,30);2-8,17,20,23,29H,9-16,18H2,1H3;2-6,15,18,20H,7-14,16H2,1H3,(H,29,30);2-6,15,18,20H,7-14,16H2,1H3,(H,28,29,30)
InChIKeyJFRMOIDAGSMRTH-UHFFFAOYSA-N
MW3385.88 g/mol
LogP31.63
Rot. Bonds43

About 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

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 (PubChem CID 158903026) has the molecular formula C175H219F21N28O15S and a molecular weight of 3385.88 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID158903026
Molecular FormulaC175H219F21N28O15S
Molecular Weight3385.88 g/mol
Exact Mass3383.66
IUPAC Name4-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
SMILESCc1ccc(NC2CCC(OCC(=O)N3CCCN(c4ccccc4)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)cc1C(F)(F)F.Cc1cnc(NC2CCC(OCC(=O)N3CCN(c4ccccc4)CC3)CC2)nc1C(F)(F)F.Cc1ncc(NC2CCC(OCC(=O)N3CCN(c4ccccc4)CC3)CC2)cc1C(F)(F)F.Cc1ncc(NC2CCC(OCC(=O)N3CCN(c4ccccc4)CC3)CC2)nc1C(F)(F)F
InChIInChI=1S/C27H34F3N3O2.3C25H31F3N4O2.C25H32F3N3O3S.2C24H30F3N5O2/c1-20-8-9-22(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;1-18-23(25(26,27)28)15-20(16-29-18)30-19-7-9-22(10-8-19)34-17-24(33)32-13-11-31(12-14-32)21-5-3-2-4-6-21;1-18-16-29-23(15-22(18)25(26,27)28)30-19-7-9-21(10-8-19)34-17-24(33)32-13-11-31(12-14-32)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;1-17-23(24(25,26)27)30-21(15-28-17)29-18-7-9-20(10-8-18)34-16-22(33)32-13-11-31(12-14-32)19-5-3-2-4-6-19;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/h2-4,6-9,18,21,24,31H,5,10-17,19H2,1H3;2-7,12,19,21H,8-11,13-17H2,1H3,(H,29,30);2-6,15-16,19,22,30H,7-14,17H2,1H3;2-6,15-16,19,21H,7-14,17H2,1H3,(H,29,30);2-8,17,20,23,29H,9-16,18H2,1H3;2-6,15,18,20H,7-14,16H2,1H3,(H,29,30);2-6,15,18,20H,7-14,16H2,1H3,(H,28,29,30)
InChIKeyJFRMOIDAGSMRTH-UHFFFAOYSA-N
XLogP31.63
TPSA420.97 Ų
H-Bond Donors7
H-Bond Acceptors36
Rotatable Bonds43
Heavy Atoms240
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003385.88
LogP ≤ 531.63
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1036

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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
3-ethyl-4-[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;3-ethyl-4-[[5-fluoro-4-(2-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;4-[[4-(2-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline;4-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline
CID 158838047
3-ethyl-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-phenylaniline;3-ethyl-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline;6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-2-methyl-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine
CID 159487358
(2S)-2-methoxy-N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]propanamide;2-methoxy-N-[(2R)-2-[(4-propan-2-ylpyrimidin-2-yl)amino]propyl]acetamide;(2S)-2-methoxy-N-[(2R)-2-[(4-propan-2-ylpyrimidin-2-yl)amino]propyl]propanamide;N-(1-methylsulfonylpyrrolidin-3-yl)-4-propan-2-ylpyrimidin-2-amine;N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]methanesulfonamide;1-[3-[(4-propan-2-ylpyrimidin-2-yl)amino]pyrrolidin-1-yl]ethanone;4-propan-2-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine;2,2,2-trifluoro-N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]acetamide
CID 159741839
CID 160282748
CID 160282748
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-[[6-methyl-5-(trifluoromethyl)-3-pyridinyl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone
CID 160842606
4-(3-ethylmorpholin-4-yl)-5-fluoro-N-[(E)-[2-methyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-(3-methylmorpholin-4-yl)-N-[(E)-[2-methyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]pyrimidin-2-amine;4-methyl-6-(2-methylmorpholin-4-yl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;4-methyl-6-morpholin-4-yl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine
CID 172918551
CID 172921639
CID 172921639
CID 172935808
CID 172935808
CID 172949637
CID 172949637
CID 172975658
CID 172975658
4-(3-ethylmorpholin-4-yl)-5-fluoro-N-[(E)-[2-methyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-(2-methylmorpholin-4-yl)-N-[(E)-[2-methyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-(3-methylmorpholin-4-yl)-N-[(E)-[2-methyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]pyrimidin-2-amine;4-methyl-6-(2-methylmorpholin-4-yl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine
CID 172986866

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(NC2CCC(OCC(=O)N3CCCN(c4ccccc4)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)cc1C(F)(F)F.Cc1cnc(NC2CCC(OCC(=O)N3CCN(c4ccccc4)CC3)CC2)nc1C(F)(F)F.Cc1ncc(NC2CCC(OCC(=O)N3CCN(c4ccccc4)CC3)CC2)cc1C(F)(F)F.Cc1ncc(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-[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?
The InChIKey is JFRMOIDAGSMRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34F3N3O2.3C25H31F3N4O2.C25H32F3N3O3S.2C24H30F3N5O2/c1-20-8-9-22(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;1-18-23(25(26,27)28)15-20(16-29-18)30-19-7-9-22(10-8-19)34-17-24(33)32-13-11-31(12-14-32)21-5-3-2-4-6-21;1-18-16-29-23(15-22(18)25(26,27)28)30-19-7-9-21(10-8-19)34-17-24(33)32-13-11-31(12-14-32)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;1-17-23(24(25,26)27)30-21(15-28-17)29-18-7-9-20(10-8-18)34-16-22(33)32-13-11-31(12-14-32)19-5-3-2-4-6-19;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/h2-4,6-9,18,21,24,31H,5,10-17,19H2,1H3;2-7,12,19,21H,8-11,13-17H2,1H3,(H,29,30);2-6,15-16,19,22,30H,7-14,17H2,1H3;2-6,15-16,19,21H,7-14,17H2,1H3,(H,29,30);2-8,17,20,23,29H,9-16,18H2,1H3;2-6,15,18,20H,7-14,16H2,1H3,(H,29,30);2-6,15,18,20H,7-14,16H2,1H3,(H,28,29,30).
What are the key properties of 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?
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 has a molecular weight of 3385.88 g/mol, XLogP of 31.63, 43 rotatable bonds, 7 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-[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 is sourced from PubChem (CID 158903026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).