4-[[4-[2-[4-(3-ethoxy-4-nitroanilino)piperidin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile;4-[[4-[2-[4-(4-isocyano-3-methylanilino)piperidin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile;N-[1-(4-isocyano-3-methylphenyl)piperidin-4-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyacetamide;1-[4-(4-methoxyanilino)piperidin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(4-methylanilino)piperidin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;N-methyl-4-(3-methyl-4-nitroanilino)-N-[[1-(4-methylphenyl)piperidin-4-yl]methyl]cyclohexane-1-carboxamide;2-methyl-4-[[4-[2-[4-(3-methyl-4-nitroanilino)piperidin-1-yl]-2-oxoethoxy]cyclohexyl]amino]benzonitrile;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(3-methyl-4-nitroanilino)piperidin-1-yl]ethanone;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone

C249H321N41O37 — CID 160520522

IUPAC4-[[4-[2-[4-(3-ethoxy-4-nitroanilino)piperidin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile;4-[[4-[2-[4-(4-isocyano-3-methylanilino)piperidin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile;N-[1-(4-isocyano-3-methylphenyl)piperidin-4-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyacetamide;1-[4-(4-methoxyanilino)piperidin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(4-methylanilino)piperidin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;N-methyl-4-(3-methyl-4-nitroanilino)-N-[[1-(4-methylphenyl)piperidin-4-yl]methyl]cyclohexane-1-carboxamide;2-methyl-4-[[4-[2-[4-(3-methyl-4-nitroanilino)piperidin-1-yl]-2-oxoethoxy]cyclohexyl]amino]benzonitrile;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(3-methyl-4-nitroanilino)piperidin-1-yl]ethanone;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone
SMILESCCOc1cc(NC2CCN(C(=O)COC3CCC(Nc4ccc(C#N)c(C)c4)CC3)CC2)ccc1[N+](=O)[O-].COc1ccc(NC2CCN(C(=O)COC3CCC(Nc4ccc([N+](=O)[O-])c(C)c4)CC3)CC2)cc1.Cc1cc(NC2CCC(OCC(=O)N3CCC(Nc4ccc([N+](=O)[O-])c(C)c4)CC3)CC2)ccc1C#N.Cc1cc(NC2CCC(OCC(=O)N3CCC(Nc4ccc([N+](=O)[O-])c(C)c4)CC3)CC2)ccc1[N+](=O)[O-].Cc1ccc(N2CCC(CN(C)C(=O)C3CCC(Nc4ccc([N+](=O)[O-])c(C)c4)CC3)CC2)cc1.Cc1ccc(N2CCN(C(=O)COC3CCC(Nc4ccc([N+](=O)[O-])c(C)c4)CC3)CC2)cc1.Cc1ccc(NC2CCN(C(=O)COC3CCC(Nc4ccc([N+](=O)[O-])c(C)c4)CC3)CC2)cc1.[C-]#[N+]c1ccc(N2CCC(NC(=O)COC3CCC(Nc4ccc([N+](=O)[O-])c(C)c4)CC3)CC2)cc1C.[C-]#[N+]c1ccc(NC2CCN(C(=O)COC3CCC(Nc4ccc(C#N)c(C)c4)CC3)CC2)cc1C
InChIInChI=1S/C29H37N5O5.C29H35N5O2.2C28H35N5O4.C28H38N4O3.C27H35N5O6.C27H36N4O5.C27H36N4O4.C26H34N4O4/c1-3-38-28-17-25(8-11-27(28)34(36)37)32-23-12-14-33(15-13-23)29(35)19-39-26-9-6-22(7-10-26)31-24-5-4-21(18-30)20(2)16-24;1-20-16-25(5-4-22(20)18-30)32-23-6-9-27(10-7-23)36-19-29(35)34-14-12-24(13-15-34)33-26-8-11-28(31-3)21(2)17-26;1-19-17-24(7-10-26(19)29-3)32-14-12-22(13-15-32)31-28(34)18-37-25-8-4-21(5-9-25)30-23-6-11-27(33(35)36)20(2)16-23;1-19-15-24(4-3-21(19)17-29)30-22-5-8-26(9-6-22)37-18-28(34)32-13-11-23(12-14-32)31-25-7-10-27(33(35)36)20(2)16-25;1-20-4-11-26(12-5-20)31-16-14-22(15-17-31)19-30(3)28(33)23-6-8-24(9-7-23)29-25-10-13-27(32(34)35)21(2)18-25;1-18-15-22(5-9-25(18)31(34)35)28-20-3-7-24(8-4-20)38-17-27(33)30-13-11-21(12-14-30)29-23-6-10-26(32(36)37)19(2)16-23;1-19-17-23(7-12-26(19)31(33)34)29-21-5-10-25(11-6-21)36-18-27(32)30-15-13-22(14-16-30)28-20-3-8-24(35-2)9-4-20;1-19-3-5-21(6-4-19)28-23-13-15-30(16-14-23)27(32)18-35-25-10-7-22(8-11-25)29-24-9-12-26(31(33)34)20(2)17-24;1-19-3-8-23(9-4-19)28-13-15-29(16-14-28)26(31)18-34-24-10-5-21(6-11-24)27-22-7-12-25(30(32)33)20(2)17-22/h4-5,8,11,16-17,22-23,26,31-32H,3,6-7,9-10,12-15,19H2,1-2H3;4-5,8,11,16-17,23-24,27,32-33H,6-7,9-10,12-15,19H2,1-2H3;6-7,10-11,16-17,21-22,25,30H,4-5,8-9,12-15,18H2,1-2H3,(H,31,34);3-4,7,10,15-16,22-23,26,30-31H,5-6,8-9,11-14,18H2,1-2H3;4-5,10-13,18,22-24,29H,6-9,14-17,19H2,1-3H3;5-6,9-10,15-16,20-21,24,28-29H,3-4,7-8,11-14,17H2,1-2H3;3-4,7-9,12,17,21-22,25,28-29H,5-6,10-11,13-16,18H2,1-2H3;3-6,9,12,17,22-23,25,28-29H,7-8,10-11,13-16,18H2,1-2H3;3-4,7-9,12,17,21,24,27H,5-6,10-11,13-16,18H2,1-2H3
InChIKeyQUFCNQSDHZUENR-UHFFFAOYSA-N
MW4480.56 g/mol
LogP45.43
Rot. Bonds73

About 4-[[4-[2-[4-(3-ethoxy-4-nitroanilino)piperidin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile;4-[[4-[2-[4-(4-isocyano-3-methylanilino)piperidin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile;N-[1-(4-isocyano-3-methylphenyl)piperidin-4-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyacetamide;1-[4-(4-methoxyanilino)piperidin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(4-methylanilino)piperidin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;N-methyl-4-(3-methyl-4-nitroanilino)-N-[[1-(4-methylphenyl)piperidin-4-yl]methyl]cyclohexane-1-carboxamide;2-methyl-4-[[4-[2-[4-(3-methyl-4-nitroanilino)piperidin-1-yl]-2-oxoethoxy]cyclohexyl]amino]benzonitrile;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(3-methyl-4-nitroanilino)piperidin-1-yl]ethanone;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone

4-[[4-[2-[4-(3-ethoxy-4-nitroanilino)piperidin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile;4-[[4-[2-[4-(4-isocyano-3-methylanilino)piperidin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile;N-[1-(4-isocyano-3-methylphenyl)piperidin-4-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyacetamide;1-[4-(4-methoxyanilino)piperidin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(4-methylanilino)piperidin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;N-methyl-4-(3-methyl-4-nitroanilino)-N-[[1-(4-methylphenyl)piperidin-4-yl]methyl]cyclohexane-1-carboxamide;2-methyl-4-[[4-[2-[4-(3-methyl-4-nitroanilino)piperidin-1-yl]-2-oxoethoxy]cyclohexyl]amino]benzonitrile;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(3-methyl-4-nitroanilino)piperidin-1-yl]ethanone;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone (PubChem CID 160520522) has the molecular formula C249H321N41O37 and a molecular weight of 4480.56 g/mol. Its IUPAC name is 4-[[4-[2-[4-(3-ethoxy-4-nitroanilino)piperidin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile;4-[[4-[2-[4-(4-isocyano-3-methylanilino)piperidin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile;N-[1-(4-isocyano-3-methylphenyl)piperidin-4-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyacetamide;1-[4-(4-methoxyanilino)piperidin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(4-methylanilino)piperidin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;N-methyl-4-(3-methyl-4-nitroanilino)-N-[[1-(4-methylphenyl)piperidin-4-yl]methyl]cyclohexane-1-carboxamide;2-methyl-4-[[4-[2-[4-(3-methyl-4-nitroanilino)piperidin-1-yl]-2-oxoethoxy]cyclohexyl]amino]benzonitrile;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(3-methyl-4-nitroanilino)piperidin-1-yl]ethanone;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name4-[[4-[2-[4-(3-ethoxy-4-nitroanilino)piperidin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile;4-[[4-[2-[4-(4-isocyano-3-methylanilino)piperidin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile;N-[1-(4-isocyano-3-methylphenyl)piperidin-4-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyacetamide;1-[4-(4-methoxyanilino)piperidin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(4-methylanilino)piperidin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;N-methyl-4-(3-methyl-4-nitroanilino)-N-[[1-(4-methylphenyl)piperidin-4-yl]methyl]cyclohexane-1-carboxamide;2-methyl-4-[[4-[2-[4-(3-methyl-4-nitroanilino)piperidin-1-yl]-2-oxoethoxy]cyclohexyl]amino]benzonitrile;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(3-methyl-4-nitroanilino)piperidin-1-yl]ethanone;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone
PubChem CID160520522
Molecular FormulaC249H321N41O37
Molecular Weight4480.56 g/mol
Exact Mass4477.45
IUPAC Name4-[[4-[2-[4-(3-ethoxy-4-nitroanilino)piperidin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile;4-[[4-[2-[4-(4-isocyano-3-methylanilino)piperidin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile;N-[1-(4-isocyano-3-methylphenyl)piperidin-4-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyacetamide;1-[4-(4-methoxyanilino)piperidin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(4-methylanilino)piperidin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;N-methyl-4-(3-methyl-4-nitroanilino)-N-[[1-(4-methylphenyl)piperidin-4-yl]methyl]cyclohexane-1-carboxamide;2-methyl-4-[[4-[2-[4-(3-methyl-4-nitroanilino)piperidin-1-yl]-2-oxoethoxy]cyclohexyl]amino]benzonitrile;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(3-methyl-4-nitroanilino)piperidin-1-yl]ethanone;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone
SMILESCCOc1cc(NC2CCN(C(=O)COC3CCC(Nc4ccc(C#N)c(C)c4)CC3)CC2)ccc1[N+](=O)[O-].COc1ccc(NC2CCN(C(=O)COC3CCC(Nc4ccc([N+](=O)[O-])c(C)c4)CC3)CC2)cc1.Cc1cc(NC2CCC(OCC(=O)N3CCC(Nc4ccc([N+](=O)[O-])c(C)c4)CC3)CC2)ccc1C#N.Cc1cc(NC2CCC(OCC(=O)N3CCC(Nc4ccc([N+](=O)[O-])c(C)c4)CC3)CC2)ccc1[N+](=O)[O-].Cc1ccc(N2CCC(CN(C)C(=O)C3CCC(Nc4ccc([N+](=O)[O-])c(C)c4)CC3)CC2)cc1.Cc1ccc(N2CCN(C(=O)COC3CCC(Nc4ccc([N+](=O)[O-])c(C)c4)CC3)CC2)cc1.Cc1ccc(NC2CCN(C(=O)COC3CCC(Nc4ccc([N+](=O)[O-])c(C)c4)CC3)CC2)cc1.[C-]#[N+]c1ccc(N2CCC(NC(=O)COC3CCC(Nc4ccc([N+](=O)[O-])c(C)c4)CC3)CC2)cc1C.[C-]#[N+]c1ccc(NC2CCN(C(=O)COC3CCC(Nc4ccc(C#N)c(C)c4)CC3)CC2)cc1C
InChIInChI=1S/C29H37N5O5.C29H35N5O2.2C28H35N5O4.C28H38N4O3.C27H35N5O6.C27H36N4O5.C27H36N4O4.C26H34N4O4/c1-3-38-28-17-25(8-11-27(28)34(36)37)32-23-12-14-33(15-13-23)29(35)19-39-26-9-6-22(7-10-26)31-24-5-4-21(18-30)20(2)16-24;1-20-16-25(5-4-22(20)18-30)32-23-6-9-27(10-7-23)36-19-29(35)34-14-12-24(13-15-34)33-26-8-11-28(31-3)21(2)17-26;1-19-17-24(7-10-26(19)29-3)32-14-12-22(13-15-32)31-28(34)18-37-25-8-4-21(5-9-25)30-23-6-11-27(33(35)36)20(2)16-23;1-19-15-24(4-3-21(19)17-29)30-22-5-8-26(9-6-22)37-18-28(34)32-13-11-23(12-14-32)31-25-7-10-27(33(35)36)20(2)16-25;1-20-4-11-26(12-5-20)31-16-14-22(15-17-31)19-30(3)28(33)23-6-8-24(9-7-23)29-25-10-13-27(32(34)35)21(2)18-25;1-18-15-22(5-9-25(18)31(34)35)28-20-3-7-24(8-4-20)38-17-27(33)30-13-11-21(12-14-30)29-23-6-10-26(32(36)37)19(2)16-23;1-19-17-23(7-12-26(19)31(33)34)29-21-5-10-25(11-6-21)36-18-27(32)30-15-13-22(14-16-30)28-20-3-8-24(35-2)9-4-20;1-19-3-5-21(6-4-19)28-23-13-15-30(16-14-23)27(32)18-35-25-10-7-22(8-11-25)29-24-9-12-26(31(33)34)20(2)17-24;1-19-3-8-23(9-4-19)28-13-15-29(16-14-28)26(31)18-34-24-10-5-21(6-11-24)27-22-7-12-25(30(32)33)20(2)17-22/h4-5,8,11,16-17,22-23,26,31-32H,3,6-7,9-10,12-15,19H2,1-2H3;4-5,8,11,16-17,23-24,27,32-33H,6-7,9-10,12-15,19H2,1-2H3;6-7,10-11,16-17,21-22,25,30H,4-5,8-9,12-15,18H2,1-2H3,(H,31,34);3-4,7,10,15-16,22-23,26,30-31H,5-6,8-9,11-14,18H2,1-2H3;4-5,10-13,18,22-24,29H,6-9,14-17,19H2,1-3H3;5-6,9-10,15-16,20-21,24,28-29H,3-4,7-8,11-14,17H2,1-2H3;3-4,7-9,12,17,21-22,25,28-29H,5-6,10-11,13-16,18H2,1-2H3;3-6,9,12,17,22-23,25,28-29H,7-8,10-11,13-16,18H2,1-2H3;3-4,7-9,12,17,21,24,27H,5-6,10-11,13-16,18H2,1-2H3
InChIKeyQUFCNQSDHZUENR-UHFFFAOYSA-N
XLogP45.43
TPSA942.40 Ų
H-Bond Donors16
H-Bond Acceptors58
Rotatable Bonds73
Heavy Atoms327
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004480.56
LogP ≤ 545.43
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1058

Analyze 4-[[4-[2-[4-(3-ethoxy-4-nitroanilino)piperidin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile;4-[[4-[2-[4-(4-isocyano-3-methylanilino)piperidin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile;N-[1-(4-isocyano-3-methylphenyl)piperidin-4-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyacetamide;1-[4-(4-methoxyanilino)piperidin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(4-methylanilino)piperidin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;N-methyl-4-(3-methyl-4-nitroanilino)-N-[[1-(4-methylphenyl)piperidin-4-yl]methyl]cyclohexane-1-carboxamide;2-methyl-4-[[4-[2-[4-(3-methyl-4-nitroanilino)piperidin-1-yl]-2-oxoethoxy]cyclohexyl]amino]benzonitrile;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(3-methyl-4-nitroanilino)piperidin-1-yl]ethanone;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone with MolForge

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Related Compounds

4-[[4-[2-[4-[3-(2-Methylpropoxy)-4-nitroanilino]piperidin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-(trifluoromethyl)benzonitrile
CID 58118208
4-[[4-[2-[4-(3-Ethoxy-4-nitroanilino)piperidin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-(fluoromethyl)benzonitrile
CID 70804160
4-[[4-[2-[4-(4-isocyano-3-methylanilino)piperidin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile;N-methyl-4-(3-methyl-4-nitroanilino)-N-[[1-(4-methylphenyl)piperidin-4-yl]methyl]cyclohexane-1-carboxamide;2-methyl-4-[[4-[2-[4-(3-methyl-4-nitroanilino)piperidin-1-yl]-2-oxoethoxy]cyclohexyl]amino]benzonitrile;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(3-methyl-4-nitroanilino)piperidin-1-yl]ethanone;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanethione;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-[4-(trifluoromethoxy)anilino]piperidin-1-yl]ethanone
CID 157149685
4-[[4-[2-[4-(3-ethoxy-4-nitroanilino)piperidin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile;4-[[4-[2-[4-(4-isocyano-3-methylanilino)piperidin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile;N-[1-(4-isocyano-3-methylphenyl)piperidin-4-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyacetamide;1-[4-(4-methoxyanilino)piperidin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-methyl-4-[[4-[2-[4-(3-methyl-4-nitroanilino)piperidin-1-yl]-2-oxoethoxy]cyclohexyl]amino]benzonitrile;N-methyl-N-[[1-(4-methylphenyl)piperidin-4-yl]methyl]-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;1-[4-(3-methyl-4-nitroanilino)piperidin-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
CID 157416723
CID 157924300
CID 157924300
CID 158061739
CID 158061739
1-[4-(3,4-Dimethoxyphenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(2-ethylphenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethanone;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(2-phenylphenyl)piperazin-1-yl]ethanone;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
CID 160848957
4-[[4-[2-[4-(3-ethoxy-4-nitroanilino)piperidin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile;4-[[4-[2-[4-(4-isocyano-3-methylanilino)piperidin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile;N-[1-(4-isocyano-3-methylphenyl)piperidin-4-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyacetamide;2-methyl-4-[[4-[2-[4-(3-methyl-4-nitroanilino)piperidin-1-yl]-2-oxoethoxy]cyclohexyl]amino]benzonitrile;N-methyl-N-[[1-(4-methylphenyl)piperidin-4-yl]methyl]-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone
CID 161315828
4-[[4-[2-[4-(4-isocyano-3-methylanilino)piperidin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile;N-methyl-N-[[1-(4-methylphenyl)piperidin-4-yl]methyl]-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;bis(1-[4-(3-methyl-4-nitroanilino)piperidin-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]oxyethanethione;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-(trifluoromethoxy)anilino]piperidin-1-yl]ethanone
CID 161477805
4-[[4-[2-[4-(4-isocyano-3-methylanilino)piperidin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile;N-methyl-4-(3-methyl-4-nitroanilino)-N-[[1-(4-methylphenyl)piperidin-4-yl]methyl]cyclohexane-1-carboxamide;2-methyl-4-[[4-[2-[4-(3-methyl-4-nitroanilino)piperidin-1-yl]-2-oxoethoxy]cyclohexyl]amino]benzonitrile;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;1-[4-(3-methyl-4-nitroanilino)piperidin-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]oxyethanethione;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-[4-(trifluoromethoxy)anilino]piperidin-1-yl]ethanone
CID 161530485
4-[[4-[2-[4-(3-Ethoxy-4-nitroanilino)piperidin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile
CID 58118167
2-Methyl-4-[[4-[2-[4-[3-(2-methylpropoxy)-4-nitroanilino]piperidin-1-yl]-2-oxoethoxy]cyclohexyl]amino]benzonitrile
CID 58118275

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[2-[4-(3-ethoxy-4-nitroanilino)piperidin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile;4-[[4-[2-[4-(4-isocyano-3-methylanilino)piperidin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile;N-[1-(4-isocyano-3-methylphenyl)piperidin-4-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyacetamide;1-[4-(4-methoxyanilino)piperidin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(4-methylanilino)piperidin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;N-methyl-4-(3-methyl-4-nitroanilino)-N-[[1-(4-methylphenyl)piperidin-4-yl]methyl]cyclohexane-1-carboxamide;2-methyl-4-[[4-[2-[4-(3-methyl-4-nitroanilino)piperidin-1-yl]-2-oxoethoxy]cyclohexyl]amino]benzonitrile;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(3-methyl-4-nitroanilino)piperidin-1-yl]ethanone;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 4-[[4-[2-[4-(3-ethoxy-4-nitroanilino)piperidin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile;4-[[4-[2-[4-(4-isocyano-3-methylanilino)piperidin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile;N-[1-(4-isocyano-3-methylphenyl)piperidin-4-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyacetamide;1-[4-(4-methoxyanilino)piperidin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(4-methylanilino)piperidin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;N-methyl-4-(3-methyl-4-nitroanilino)-N-[[1-(4-methylphenyl)piperidin-4-yl]methyl]cyclohexane-1-carboxamide;2-methyl-4-[[4-[2-[4-(3-methyl-4-nitroanilino)piperidin-1-yl]-2-oxoethoxy]cyclohexyl]amino]benzonitrile;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(3-methyl-4-nitroanilino)piperidin-1-yl]ethanone;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone (CID 160520522) is 4-[[4-[2-[4-(3-ethoxy-4-nitroanilino)piperidin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile;4-[[4-[2-[4-(4-isocyano-3-methylanilino)piperidin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile;N-[1-(4-isocyano-3-methylphenyl)piperidin-4-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyacetamide;1-[4-(4-methoxyanilino)piperidin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(4-methylanilino)piperidin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;N-methyl-4-(3-methyl-4-nitroanilino)-N-[[1-(4-methylphenyl)piperidin-4-yl]methyl]cyclohexane-1-carboxamide;2-methyl-4-[[4-[2-[4-(3-methyl-4-nitroanilino)piperidin-1-yl]-2-oxoethoxy]cyclohexyl]amino]benzonitrile;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(3-methyl-4-nitroanilino)piperidin-1-yl]ethanone;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 4-[[4-[2-[4-(3-ethoxy-4-nitroanilino)piperidin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile;4-[[4-[2-[4-(4-isocyano-3-methylanilino)piperidin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile;N-[1-(4-isocyano-3-methylphenyl)piperidin-4-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyacetamide;1-[4-(4-methoxyanilino)piperidin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(4-methylanilino)piperidin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;N-methyl-4-(3-methyl-4-nitroanilino)-N-[[1-(4-methylphenyl)piperidin-4-yl]methyl]cyclohexane-1-carboxamide;2-methyl-4-[[4-[2-[4-(3-methyl-4-nitroanilino)piperidin-1-yl]-2-oxoethoxy]cyclohexyl]amino]benzonitrile;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(3-methyl-4-nitroanilino)piperidin-1-yl]ethanone;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 4-[[4-[2-[4-(3-ethoxy-4-nitroanilino)piperidin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile;4-[[4-[2-[4-(4-isocyano-3-methylanilino)piperidin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile;N-[1-(4-isocyano-3-methylphenyl)piperidin-4-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyacetamide;1-[4-(4-methoxyanilino)piperidin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(4-methylanilino)piperidin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;N-methyl-4-(3-methyl-4-nitroanilino)-N-[[1-(4-methylphenyl)piperidin-4-yl]methyl]cyclohexane-1-carboxamide;2-methyl-4-[[4-[2-[4-(3-methyl-4-nitroanilino)piperidin-1-yl]-2-oxoethoxy]cyclohexyl]amino]benzonitrile;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(3-methyl-4-nitroanilino)piperidin-1-yl]ethanone;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone is CCOc1cc(NC2CCN(C(=O)COC3CCC(Nc4ccc(C#N)c(C)c4)CC3)CC2)ccc1[N+](=O)[O-].COc1ccc(NC2CCN(C(=O)COC3CCC(Nc4ccc([N+](=O)[O-])c(C)c4)CC3)CC2)cc1.Cc1cc(NC2CCC(OCC(=O)N3CCC(Nc4ccc([N+](=O)[O-])c(C)c4)CC3)CC2)ccc1C#N.Cc1cc(NC2CCC(OCC(=O)N3CCC(Nc4ccc([N+](=O)[O-])c(C)c4)CC3)CC2)ccc1[N+](=O)[O-].Cc1ccc(N2CCC(CN(C)C(=O)C3CCC(Nc4ccc([N+](=O)[O-])c(C)c4)CC3)CC2)cc1.Cc1ccc(N2CCN(C(=O)COC3CCC(Nc4ccc([N+](=O)[O-])c(C)c4)CC3)CC2)cc1.Cc1ccc(NC2CCN(C(=O)COC3CCC(Nc4ccc([N+](=O)[O-])c(C)c4)CC3)CC2)cc1.[C-]#[N+]c1ccc(N2CCC(NC(=O)COC3CCC(Nc4ccc([N+](=O)[O-])c(C)c4)CC3)CC2)cc1C.[C-]#[N+]c1ccc(NC2CCN(C(=O)COC3CCC(Nc4ccc(C#N)c(C)c4)CC3)CC2)cc1C.
What is the InChIKey of 4-[[4-[2-[4-(3-ethoxy-4-nitroanilino)piperidin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile;4-[[4-[2-[4-(4-isocyano-3-methylanilino)piperidin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile;N-[1-(4-isocyano-3-methylphenyl)piperidin-4-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyacetamide;1-[4-(4-methoxyanilino)piperidin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(4-methylanilino)piperidin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;N-methyl-4-(3-methyl-4-nitroanilino)-N-[[1-(4-methylphenyl)piperidin-4-yl]methyl]cyclohexane-1-carboxamide;2-methyl-4-[[4-[2-[4-(3-methyl-4-nitroanilino)piperidin-1-yl]-2-oxoethoxy]cyclohexyl]amino]benzonitrile;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(3-methyl-4-nitroanilino)piperidin-1-yl]ethanone;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone?
The InChIKey is QUFCNQSDHZUENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N5O5.C29H35N5O2.2C28H35N5O4.C28H38N4O3.C27H35N5O6.C27H36N4O5.C27H36N4O4.C26H34N4O4/c1-3-38-28-17-25(8-11-27(28)34(36)37)32-23-12-14-33(15-13-23)29(35)19-39-26-9-6-22(7-10-26)31-24-5-4-21(18-30)20(2)16-24;1-20-16-25(5-4-22(20)18-30)32-23-6-9-27(10-7-23)36-19-29(35)34-14-12-24(13-15-34)33-26-8-11-28(31-3)21(2)17-26;1-19-17-24(7-10-26(19)29-3)32-14-12-22(13-15-32)31-28(34)18-37-25-8-4-21(5-9-25)30-23-6-11-27(33(35)36)20(2)16-23;1-19-15-24(4-3-21(19)17-29)30-22-5-8-26(9-6-22)37-18-28(34)32-13-11-23(12-14-32)31-25-7-10-27(33(35)36)20(2)16-25;1-20-4-11-26(12-5-20)31-16-14-22(15-17-31)19-30(3)28(33)23-6-8-24(9-7-23)29-25-10-13-27(32(34)35)21(2)18-25;1-18-15-22(5-9-25(18)31(34)35)28-20-3-7-24(8-4-20)38-17-27(33)30-13-11-21(12-14-30)29-23-6-10-26(32(36)37)19(2)16-23;1-19-17-23(7-12-26(19)31(33)34)29-21-5-10-25(11-6-21)36-18-27(32)30-15-13-22(14-16-30)28-20-3-8-24(35-2)9-4-20;1-19-3-5-21(6-4-19)28-23-13-15-30(16-14-23)27(32)18-35-25-10-7-22(8-11-25)29-24-9-12-26(31(33)34)20(2)17-24;1-19-3-8-23(9-4-19)28-13-15-29(16-14-28)26(31)18-34-24-10-5-21(6-11-24)27-22-7-12-25(30(32)33)20(2)17-22/h4-5,8,11,16-17,22-23,26,31-32H,3,6-7,9-10,12-15,19H2,1-2H3;4-5,8,11,16-17,23-24,27,32-33H,6-7,9-10,12-15,19H2,1-2H3;6-7,10-11,16-17,21-22,25,30H,4-5,8-9,12-15,18H2,1-2H3,(H,31,34);3-4,7,10,15-16,22-23,26,30-31H,5-6,8-9,11-14,18H2,1-2H3;4-5,10-13,18,22-24,29H,6-9,14-17,19H2,1-3H3;5-6,9-10,15-16,20-21,24,28-29H,3-4,7-8,11-14,17H2,1-2H3;3-4,7-9,12,17,21-22,25,28-29H,5-6,10-11,13-16,18H2,1-2H3;3-6,9,12,17,22-23,25,28-29H,7-8,10-11,13-16,18H2,1-2H3;3-4,7-9,12,17,21,24,27H,5-6,10-11,13-16,18H2,1-2H3.
What are the key properties of 4-[[4-[2-[4-(3-ethoxy-4-nitroanilino)piperidin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile;4-[[4-[2-[4-(4-isocyano-3-methylanilino)piperidin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile;N-[1-(4-isocyano-3-methylphenyl)piperidin-4-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyacetamide;1-[4-(4-methoxyanilino)piperidin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(4-methylanilino)piperidin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;N-methyl-4-(3-methyl-4-nitroanilino)-N-[[1-(4-methylphenyl)piperidin-4-yl]methyl]cyclohexane-1-carboxamide;2-methyl-4-[[4-[2-[4-(3-methyl-4-nitroanilino)piperidin-1-yl]-2-oxoethoxy]cyclohexyl]amino]benzonitrile;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(3-methyl-4-nitroanilino)piperidin-1-yl]ethanone;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone?
4-[[4-[2-[4-(3-ethoxy-4-nitroanilino)piperidin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile;4-[[4-[2-[4-(4-isocyano-3-methylanilino)piperidin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile;N-[1-(4-isocyano-3-methylphenyl)piperidin-4-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyacetamide;1-[4-(4-methoxyanilino)piperidin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(4-methylanilino)piperidin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;N-methyl-4-(3-methyl-4-nitroanilino)-N-[[1-(4-methylphenyl)piperidin-4-yl]methyl]cyclohexane-1-carboxamide;2-methyl-4-[[4-[2-[4-(3-methyl-4-nitroanilino)piperidin-1-yl]-2-oxoethoxy]cyclohexyl]amino]benzonitrile;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(3-methyl-4-nitroanilino)piperidin-1-yl]ethanone;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone has a molecular weight of 4480.56 g/mol, XLogP of 45.43, 73 rotatable bonds, 16 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[2-[4-(3-ethoxy-4-nitroanilino)piperidin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile;4-[[4-[2-[4-(4-isocyano-3-methylanilino)piperidin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile;N-[1-(4-isocyano-3-methylphenyl)piperidin-4-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyacetamide;1-[4-(4-methoxyanilino)piperidin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(4-methylanilino)piperidin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;N-methyl-4-(3-methyl-4-nitroanilino)-N-[[1-(4-methylphenyl)piperidin-4-yl]methyl]cyclohexane-1-carboxamide;2-methyl-4-[[4-[2-[4-(3-methyl-4-nitroanilino)piperidin-1-yl]-2-oxoethoxy]cyclohexyl]amino]benzonitrile;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(3-methyl-4-nitroanilino)piperidin-1-yl]ethanone;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 160520522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).