1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(2,4-dimethylanilino)cyclohexyl]oxyethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(3,4-dimethylanilino)cyclohexyl]oxyethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(3-methoxy-4-methylanilino)cyclohexyl]oxyethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-[4-methyl-2-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[[4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-5-methylbenzonitrile;5-[[4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile

C180H249F3N20O13 — CID 158501016

IUPAC1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(2,4-dimethylanilino)cyclohexyl]oxyethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(3,4-dimethylanilino)cyclohexyl]oxyethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(3-methoxy-4-methylanilino)cyclohexyl]oxyethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-[4-methyl-2-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[[4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-5-methylbenzonitrile;5-[[4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile
SMILESCOc1cc(NC2CCC(OCC(=O)N3CCN(c4ccc(C(C)(C)C)cc4)CC3)CC2)ccc1C.Cc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccc(C(C)(C)C)cc4)CC3)CC2)c(C#N)c1.Cc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccc(C(C)(C)C)cc4)CC3)CC2)c(C(F)(F)F)c1.Cc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccc(C(C)(C)C)cc4)CC3)CC2)c(C)c1.Cc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccc(C(C)(C)C)cc4)CC3)CC2)cc1C.Cc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccc(C(C)(C)C)cc4)CC3)CC2)cc1C#N
InChIInChI=1S/C30H40F3N3O2.2C30H40N4O2.C30H43N3O3.2C30H43N3O2/c1-21-5-14-27(26(19-21)30(31,32)33)34-23-8-12-25(13-9-23)38-20-28(37)36-17-15-35(16-18-36)24-10-6-22(7-11-24)29(2,3)4;1-22-5-14-28(23(19-22)20-31)32-25-8-12-27(13-9-25)36-21-29(35)34-17-15-33(16-18-34)26-10-6-24(7-11-26)30(2,3)4;1-22-5-8-26(19-23(22)20-31)32-25-9-13-28(14-10-25)36-21-29(35)34-17-15-33(16-18-34)27-11-6-24(7-12-27)30(2,3)4;1-22-6-9-25(20-28(22)35-5)31-24-10-14-27(15-11-24)36-21-29(34)33-18-16-32(17-19-33)26-12-7-23(8-13-26)30(2,3)4;1-22-6-15-28(23(2)20-22)31-25-9-13-27(14-10-25)35-21-29(34)33-18-16-32(17-19-33)26-11-7-24(8-12-26)30(3,4)5;1-22-6-9-26(20-23(22)2)31-25-10-14-28(15-11-25)35-21-29(34)33-18-16-32(17-19-33)27-12-7-24(8-13-27)30(3,4)5/h5-7,10-11,14,19,23,25,34H,8-9,12-13,15-18,20H2,1-4H3;5-7,10-11,14,19,25,27,32H,8-9,12-13,15-18,21H2,1-4H3;5-8,11-12,19,25,28,32H,9-10,13-18,21H2,1-4H3;6-9,12-13,20,24,27,31H,10-11,14-19,21H2,1-5H3;6-8,11-12,15,20,25,27,31H,9-10,13-14,16-19,21H2,1-5H3;6-9,12-13,20,25,28,31H,10-11,14-19,21H2,1-5H3
InChIKeyHJWWCJCQVYUXAC-UHFFFAOYSA-N
MW2958.09 g/mol
LogP33.67
Rot. Bonds37

About 1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(2,4-dimethylanilino)cyclohexyl]oxyethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(3,4-dimethylanilino)cyclohexyl]oxyethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(3-methoxy-4-methylanilino)cyclohexyl]oxyethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-[4-methyl-2-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[[4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-5-methylbenzonitrile;5-[[4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile

1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(2,4-dimethylanilino)cyclohexyl]oxyethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(3,4-dimethylanilino)cyclohexyl]oxyethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(3-methoxy-4-methylanilino)cyclohexyl]oxyethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-[4-methyl-2-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[[4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-5-methylbenzonitrile;5-[[4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile (PubChem CID 158501016) has the molecular formula C180H249F3N20O13 and a molecular weight of 2958.09 g/mol. Its IUPAC name is 1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(2,4-dimethylanilino)cyclohexyl]oxyethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(3,4-dimethylanilino)cyclohexyl]oxyethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(3-methoxy-4-methylanilino)cyclohexyl]oxyethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-[4-methyl-2-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[[4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-5-methylbenzonitrile;5-[[4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile.

Molecular Properties

Compound Name1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(2,4-dimethylanilino)cyclohexyl]oxyethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(3,4-dimethylanilino)cyclohexyl]oxyethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(3-methoxy-4-methylanilino)cyclohexyl]oxyethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-[4-methyl-2-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[[4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-5-methylbenzonitrile;5-[[4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile
PubChem CID158501016
Molecular FormulaC180H249F3N20O13
Molecular Weight2958.09 g/mol
Exact Mass2955.94
IUPAC Name1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(2,4-dimethylanilino)cyclohexyl]oxyethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(3,4-dimethylanilino)cyclohexyl]oxyethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(3-methoxy-4-methylanilino)cyclohexyl]oxyethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-[4-methyl-2-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[[4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-5-methylbenzonitrile;5-[[4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile
SMILESCOc1cc(NC2CCC(OCC(=O)N3CCN(c4ccc(C(C)(C)C)cc4)CC3)CC2)ccc1C.Cc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccc(C(C)(C)C)cc4)CC3)CC2)c(C#N)c1.Cc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccc(C(C)(C)C)cc4)CC3)CC2)c(C(F)(F)F)c1.Cc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccc(C(C)(C)C)cc4)CC3)CC2)c(C)c1.Cc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccc(C(C)(C)C)cc4)CC3)CC2)cc1C.Cc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccc(C(C)(C)C)cc4)CC3)CC2)cc1C#N
InChIInChI=1S/C30H40F3N3O2.2C30H40N4O2.C30H43N3O3.2C30H43N3O2/c1-21-5-14-27(26(19-21)30(31,32)33)34-23-8-12-25(13-9-23)38-20-28(37)36-17-15-35(16-18-36)24-10-6-22(7-11-24)29(2,3)4;1-22-5-14-28(23(19-22)20-31)32-25-8-12-27(13-9-25)36-21-29(35)34-17-15-33(16-18-34)26-10-6-24(7-11-26)30(2,3)4;1-22-5-8-26(19-23(22)20-31)32-25-9-13-28(14-10-25)36-21-29(35)34-17-15-33(16-18-34)27-11-6-24(7-12-27)30(2,3)4;1-22-6-9-25(20-28(22)35-5)31-24-10-14-27(15-11-24)36-21-29(34)33-18-16-32(17-19-33)26-12-7-23(8-13-26)30(2,3)4;1-22-6-15-28(23(2)20-22)31-25-9-13-27(14-10-25)35-21-29(34)33-18-16-32(17-19-33)26-11-7-24(8-12-26)30(3,4)5;1-22-6-9-26(20-23(22)2)31-25-10-14-28(15-11-25)35-21-29(34)33-18-16-32(17-19-33)27-12-7-24(8-13-27)30(3,4)5/h5-7,10-11,14,19,23,25,34H,8-9,12-13,15-18,20H2,1-4H3;5-7,10-11,14,19,25,27,32H,8-9,12-13,15-18,21H2,1-4H3;5-8,11-12,19,25,28,32H,9-10,13-18,21H2,1-4H3;6-9,12-13,20,24,27,31H,10-11,14-19,21H2,1-5H3;6-8,11-12,15,20,25,27,31H,9-10,13-14,16-19,21H2,1-5H3;6-9,12-13,20,25,28,31H,10-11,14-19,21H2,1-5H3
InChIKeyHJWWCJCQVYUXAC-UHFFFAOYSA-N
XLogP33.67
TPSA325.67 Ų
H-Bond Donors6
H-Bond Acceptors27
Rotatable Bonds37
Heavy Atoms216
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002958.09
LogP ≤ 533.67
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1027

Analyze 1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(2,4-dimethylanilino)cyclohexyl]oxyethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(3,4-dimethylanilino)cyclohexyl]oxyethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(3-methoxy-4-methylanilino)cyclohexyl]oxyethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-[4-methyl-2-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[[4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-5-methylbenzonitrile;5-[[4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile with MolForge

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Related Compounds

2-[4-(2,4-Dimethylanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;2-[4-(3,4-dimethylanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;2-methyl-5-[[4-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]benzonitrile;5-methyl-2-[[4-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]benzonitrile;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-2-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)phenoxy]cyclohexyl]oxyethanone
CID 157085086
1-[4-(4-Tert-butylphenyl)piperazin-1-yl]-2-[4-(2,4-dimethylanilino)cyclohexyl]oxyethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-[4-methyl-2-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[[4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-5-methylbenzonitrile;1-[4-(4-methylphenyl)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)phenoxy]cyclohexyl]oxyethanone
CID 157661996
1-[4-(2,4-Dimethylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(4-isocyanophenyl)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-(3-methoxyphenyl)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-(4-phenylphenyl)piperazin-1-yl]ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]ethanone
CID 157832348
CID 158402156
CID 158402156
1-[4-(2,4-Difluorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(2-ethylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(2-phenylphenyl)piperazin-1-yl]ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]piperazin-1-yl]ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
CID 158450321
1-[4-(4-Chlorophenyl)piperazin-1-yl]-2-[4-(2,4-dimethylanilino)cyclohexyl]oxyethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(3,4-dimethylanilino)cyclohexyl]oxyethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(3-methoxy-4-methylanilino)cyclohexyl]oxyethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-2-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-5-methylbenzonitrile;5-[[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile
CID 158602656
4-[[4-[2-[4-(4-Tert-butylphenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile;1-[4-(4-chlorophenyl)piperazin-1-yl]-3-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]propan-1-one;4-[[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile;2-methyl-4-[[4-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]benzonitrile;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxyethanone;3-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 158685477
1-[4-(4-Chloro-2-fluorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(2,4-dimethylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(4-methoxyphenyl)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-(4-phenylphenyl)piperazin-1-yl]ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]ethanone
CID 159760417
1-[4-(4-Tert-butylphenyl)piperazin-1-yl]-2-[4-(3-methoxy-4-methylanilino)cyclohexyl]oxyethanone;bis(1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-[4-methoxy-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanethione);1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(3-methoxy-4-methylanilino)cyclohexyl]oxyethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[4-methoxy-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanethione;2-[4-(3-methoxy-4-methylanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;2-[4-(3-methoxy-4-methylanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone
CID 160006038
1-[4-(2,4-Difluorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(2-ethylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
CID 160055847
1-[4-(4-Tert-butylphenyl)piperazin-1-yl]-2-[4-(3-methoxy-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-nitro-3-(trifluoromethyl)phenyl]butoxy]ethanone
CID 160267332
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
CID 160323685

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(2,4-dimethylanilino)cyclohexyl]oxyethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(3,4-dimethylanilino)cyclohexyl]oxyethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(3-methoxy-4-methylanilino)cyclohexyl]oxyethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-[4-methyl-2-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[[4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-5-methylbenzonitrile;5-[[4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile?
The IUPAC name of 1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(2,4-dimethylanilino)cyclohexyl]oxyethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(3,4-dimethylanilino)cyclohexyl]oxyethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(3-methoxy-4-methylanilino)cyclohexyl]oxyethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-[4-methyl-2-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[[4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-5-methylbenzonitrile;5-[[4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile (CID 158501016) is 1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(2,4-dimethylanilino)cyclohexyl]oxyethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(3,4-dimethylanilino)cyclohexyl]oxyethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(3-methoxy-4-methylanilino)cyclohexyl]oxyethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-[4-methyl-2-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[[4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-5-methylbenzonitrile;5-[[4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile.
What is the SMILES notation for 1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(2,4-dimethylanilino)cyclohexyl]oxyethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(3,4-dimethylanilino)cyclohexyl]oxyethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(3-methoxy-4-methylanilino)cyclohexyl]oxyethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-[4-methyl-2-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[[4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-5-methylbenzonitrile;5-[[4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile?
The canonical SMILES for 1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(2,4-dimethylanilino)cyclohexyl]oxyethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(3,4-dimethylanilino)cyclohexyl]oxyethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(3-methoxy-4-methylanilino)cyclohexyl]oxyethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-[4-methyl-2-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[[4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-5-methylbenzonitrile;5-[[4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile is COc1cc(NC2CCC(OCC(=O)N3CCN(c4ccc(C(C)(C)C)cc4)CC3)CC2)ccc1C.Cc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccc(C(C)(C)C)cc4)CC3)CC2)c(C#N)c1.Cc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccc(C(C)(C)C)cc4)CC3)CC2)c(C(F)(F)F)c1.Cc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccc(C(C)(C)C)cc4)CC3)CC2)c(C)c1.Cc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccc(C(C)(C)C)cc4)CC3)CC2)cc1C.Cc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccc(C(C)(C)C)cc4)CC3)CC2)cc1C#N.
What is the InChIKey of 1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(2,4-dimethylanilino)cyclohexyl]oxyethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(3,4-dimethylanilino)cyclohexyl]oxyethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(3-methoxy-4-methylanilino)cyclohexyl]oxyethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-[4-methyl-2-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[[4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-5-methylbenzonitrile;5-[[4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile?
The InChIKey is HJWWCJCQVYUXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40F3N3O2.2C30H40N4O2.C30H43N3O3.2C30H43N3O2/c1-21-5-14-27(26(19-21)30(31,32)33)34-23-8-12-25(13-9-23)38-20-28(37)36-17-15-35(16-18-36)24-10-6-22(7-11-24)29(2,3)4;1-22-5-14-28(23(19-22)20-31)32-25-8-12-27(13-9-25)36-21-29(35)34-17-15-33(16-18-34)26-10-6-24(7-11-26)30(2,3)4;1-22-5-8-26(19-23(22)20-31)32-25-9-13-28(14-10-25)36-21-29(35)34-17-15-33(16-18-34)27-11-6-24(7-12-27)30(2,3)4;1-22-6-9-25(20-28(22)35-5)31-24-10-14-27(15-11-24)36-21-29(34)33-18-16-32(17-19-33)26-12-7-23(8-13-26)30(2,3)4;1-22-6-15-28(23(2)20-22)31-25-9-13-27(14-10-25)35-21-29(34)33-18-16-32(17-19-33)26-11-7-24(8-12-26)30(3,4)5;1-22-6-9-26(20-23(22)2)31-25-10-14-28(15-11-25)35-21-29(34)33-18-16-32(17-19-33)27-12-7-24(8-13-27)30(3,4)5/h5-7,10-11,14,19,23,25,34H,8-9,12-13,15-18,20H2,1-4H3;5-7,10-11,14,19,25,27,32H,8-9,12-13,15-18,21H2,1-4H3;5-8,11-12,19,25,28,32H,9-10,13-18,21H2,1-4H3;6-9,12-13,20,24,27,31H,10-11,14-19,21H2,1-5H3;6-8,11-12,15,20,25,27,31H,9-10,13-14,16-19,21H2,1-5H3;6-9,12-13,20,25,28,31H,10-11,14-19,21H2,1-5H3.
What are the key properties of 1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(2,4-dimethylanilino)cyclohexyl]oxyethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(3,4-dimethylanilino)cyclohexyl]oxyethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(3-methoxy-4-methylanilino)cyclohexyl]oxyethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-[4-methyl-2-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[[4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-5-methylbenzonitrile;5-[[4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile?
1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(2,4-dimethylanilino)cyclohexyl]oxyethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(3,4-dimethylanilino)cyclohexyl]oxyethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(3-methoxy-4-methylanilino)cyclohexyl]oxyethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-[4-methyl-2-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[[4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-5-methylbenzonitrile;5-[[4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile has a molecular weight of 2958.09 g/mol, XLogP of 33.67, 37 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(2,4-dimethylanilino)cyclohexyl]oxyethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(3,4-dimethylanilino)cyclohexyl]oxyethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(3-methoxy-4-methylanilino)cyclohexyl]oxyethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-[4-methyl-2-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[[4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-5-methylbenzonitrile;5-[[4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile is sourced from PubChem (CID 158501016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).