2-[4-(3,5-dimethyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-methyl-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)propan-1-one;4-[2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyacetyl]-1-phenylpiperazin-2-one;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanethione;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-(3-methyl-4-nitrophenoxy)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;1-(4-phenylpiperazin-1-yl)-2-[4-(2,3,5-trimethyl-4-nitroanilino)cyclohexyl]oxyethanone

C180H231N27O29S — CID 161223159

IUPAC2-[4-(3,5-dimethyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-methyl-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)propan-1-one;4-[2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyacetyl]-1-phenylpiperazin-2-one;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanethione;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-(3-methyl-4-nitrophenoxy)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;1-(4-phenylpiperazin-1-yl)-2-[4-(2,3,5-trimethyl-4-nitroanilino)cyclohexyl]oxyethanone
SMILESCc1cc(NC2CCC(OC(C)(C)C(=O)N3CCN(c4ccccc4)CC3)CC2)ccc1[N+](=O)[O-].Cc1cc(NC2CCC(OCC(=O)N3CCN(c4ccccc4)C(=O)C3)CC2)ccc1[N+](=O)[O-].Cc1cc(NC2CCC(OCC(=O)N3CCN(c4ccccc4)CC3)CC2)c(C)c(C)c1[N+](=O)[O-].Cc1cc(NC2CCC(OCC(=O)N3CCN(c4ccccc4)CC3)CC2)cc(C)c1[N+](=O)[O-].Cc1cc(NC2CCC(OCC(=O)N3CCN(c4ccccc4)CC3)CC2)ccc1[N+](=O)[O-].Cc1cc(NC2CCC(OCC(=S)N3CCN(c4ccccc4)CC3)CC2)ccc1[N+](=O)[O-].Cc1cc(OC2CCC(OCC(=O)N3CCN(c4ccccc4)CC3)CC2)ccc1[N+](=O)[O-]
InChIInChI=1S/2C27H36N4O4.C26H34N4O4.C25H30N4O5.C25H32N4O4.C25H32N4O3S.C25H31N3O5/c1-20-19-22(11-14-25(20)31(33)34)28-21-9-12-24(13-10-21)35-27(2,3)26(32)30-17-15-29(16-18-30)23-7-5-4-6-8-23;1-19-17-25(20(2)21(3)27(19)31(33)34)28-22-9-11-24(12-10-22)35-18-26(32)30-15-13-29(14-16-30)23-7-5-4-6-8-23;1-19-16-22(17-20(2)26(19)30(32)33)27-21-8-10-24(11-9-21)34-18-25(31)29-14-12-28(13-15-29)23-6-4-3-5-7-23;1-18-15-20(9-12-23(18)29(32)33)26-19-7-10-22(11-8-19)34-17-25(31)27-13-14-28(24(30)16-27)21-5-3-2-4-6-21;1-19-17-21(9-12-24(19)29(31)32)26-20-7-10-23(11-8-20)33-18-25(30)28-15-13-27(14-16-28)22-5-3-2-4-6-22;1-19-17-21(9-12-24(19)29(30)31)26-20-7-10-23(11-8-20)32-18-25(33)28-15-13-27(14-16-28)22-5-3-2-4-6-22;1-19-17-23(11-12-24(19)28(30)31)33-22-9-7-21(8-10-22)32-18-25(29)27-15-13-26(14-16-27)20-5-3-2-4-6-20/h4-8,11,14,19,21,24,28H,9-10,12-13,15-18H2,1-3H3;4-8,17,22,24,28H,9-16,18H2,1-3H3;3-7,16-17,21,24,27H,8-15,18H2,1-2H3;2-6,9,12,15,19,22,26H,7-8,10-11,13-14,16-17H2,1H3;2*2-6,9,12,17,20,23,26H,7-8,10-11,13-16,18H2,1H3;2-6,11-12,17,21-22H,7-10,13-16,18H2,1H3
InChIKeyUXTYZOFNXKNDBN-UHFFFAOYSA-N
MW3269.05 g/mol
LogP29.94
Rot. Bonds49

About 2-[4-(3,5-dimethyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-methyl-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)propan-1-one;4-[2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyacetyl]-1-phenylpiperazin-2-one;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanethione;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-(3-methyl-4-nitrophenoxy)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;1-(4-phenylpiperazin-1-yl)-2-[4-(2,3,5-trimethyl-4-nitroanilino)cyclohexyl]oxyethanone

2-[4-(3,5-dimethyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-methyl-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)propan-1-one;4-[2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyacetyl]-1-phenylpiperazin-2-one;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanethione;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-(3-methyl-4-nitrophenoxy)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;1-(4-phenylpiperazin-1-yl)-2-[4-(2,3,5-trimethyl-4-nitroanilino)cyclohexyl]oxyethanone (PubChem CID 161223159) has the molecular formula C180H231N27O29S and a molecular weight of 3269.05 g/mol. Its IUPAC name is 2-[4-(3,5-dimethyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-methyl-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)propan-1-one;4-[2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyacetyl]-1-phenylpiperazin-2-one;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanethione;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-(3-methyl-4-nitrophenoxy)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;1-(4-phenylpiperazin-1-yl)-2-[4-(2,3,5-trimethyl-4-nitroanilino)cyclohexyl]oxyethanone.

Molecular Properties

Compound Name2-[4-(3,5-dimethyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-methyl-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)propan-1-one;4-[2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyacetyl]-1-phenylpiperazin-2-one;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanethione;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-(3-methyl-4-nitrophenoxy)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;1-(4-phenylpiperazin-1-yl)-2-[4-(2,3,5-trimethyl-4-nitroanilino)cyclohexyl]oxyethanone
PubChem CID161223159
Molecular FormulaC180H231N27O29S
Molecular Weight3269.05 g/mol
Exact Mass3266.72
IUPAC Name2-[4-(3,5-dimethyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-methyl-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)propan-1-one;4-[2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyacetyl]-1-phenylpiperazin-2-one;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanethione;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-(3-methyl-4-nitrophenoxy)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;1-(4-phenylpiperazin-1-yl)-2-[4-(2,3,5-trimethyl-4-nitroanilino)cyclohexyl]oxyethanone
SMILESCc1cc(NC2CCC(OC(C)(C)C(=O)N3CCN(c4ccccc4)CC3)CC2)ccc1[N+](=O)[O-].Cc1cc(NC2CCC(OCC(=O)N3CCN(c4ccccc4)C(=O)C3)CC2)ccc1[N+](=O)[O-].Cc1cc(NC2CCC(OCC(=O)N3CCN(c4ccccc4)CC3)CC2)c(C)c(C)c1[N+](=O)[O-].Cc1cc(NC2CCC(OCC(=O)N3CCN(c4ccccc4)CC3)CC2)cc(C)c1[N+](=O)[O-].Cc1cc(NC2CCC(OCC(=O)N3CCN(c4ccccc4)CC3)CC2)ccc1[N+](=O)[O-].Cc1cc(NC2CCC(OCC(=S)N3CCN(c4ccccc4)CC3)CC2)ccc1[N+](=O)[O-].Cc1cc(OC2CCC(OCC(=O)N3CCN(c4ccccc4)CC3)CC2)ccc1[N+](=O)[O-]
InChIInChI=1S/2C27H36N4O4.C26H34N4O4.C25H30N4O5.C25H32N4O4.C25H32N4O3S.C25H31N3O5/c1-20-19-22(11-14-25(20)31(33)34)28-21-9-12-24(13-10-21)35-27(2,3)26(32)30-17-15-29(16-18-30)23-7-5-4-6-8-23;1-19-17-25(20(2)21(3)27(19)31(33)34)28-22-9-11-24(12-10-22)35-18-26(32)30-15-13-29(14-16-30)23-7-5-4-6-8-23;1-19-16-22(17-20(2)26(19)30(32)33)27-21-8-10-24(11-9-21)34-18-25(31)29-14-12-28(13-15-29)23-6-4-3-5-7-23;1-18-15-20(9-12-23(18)29(32)33)26-19-7-10-22(11-8-19)34-17-25(31)27-13-14-28(24(30)16-27)21-5-3-2-4-6-21;1-19-17-21(9-12-24(19)29(31)32)26-20-7-10-23(11-8-20)33-18-25(30)28-15-13-27(14-16-28)22-5-3-2-4-6-22;1-19-17-21(9-12-24(19)29(30)31)26-20-7-10-23(11-8-20)32-18-25(33)28-15-13-27(14-16-28)22-5-3-2-4-6-22;1-19-17-23(11-12-24(19)28(30)31)33-22-9-7-21(8-10-22)32-18-25(29)27-15-13-26(14-16-27)20-5-3-2-4-6-20/h4-8,11,14,19,21,24,28H,9-10,12-13,15-18H2,1-3H3;4-8,17,22,24,28H,9-16,18H2,1-3H3;3-7,16-17,21,24,27H,8-15,18H2,1-2H3;2-6,9,12,15,19,22,26H,7-8,10-11,13-14,16-17H2,1H3;2*2-6,9,12,17,20,23,26H,7-8,10-11,13-16,18H2,1H3;2-6,11-12,17,21-22H,7-10,13-16,18H2,1H3
InChIKeyUXTYZOFNXKNDBN-UHFFFAOYSA-N
XLogP29.94
TPSA612.85 Ų
H-Bond Donors6
H-Bond Acceptors42
Rotatable Bonds49
Heavy Atoms237
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003269.05
LogP ≤ 529.94
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 2-[4-(3,5-dimethyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-methyl-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)propan-1-one;4-[2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyacetyl]-1-phenylpiperazin-2-one;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanethione;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-(3-methyl-4-nitrophenoxy)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;1-(4-phenylpiperazin-1-yl)-2-[4-(2,3,5-trimethyl-4-nitroanilino)cyclohexyl]oxyethanone with MolForge

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Related Compounds

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
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 159518123
2-[4-[3,4-Dimethyl-5-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-methyl-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)propan-1-one;4-[2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyacetyl]-1-phenylpiperazin-2-one;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanethione;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-[4-methyl-3-(trifluoromethyl)phenoxy]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone
CID 161084950
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)anilino]cyclohexyl]oxyethanone;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxypropane-1-thione;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)phenoxy]cyclohexyl]oxyethanone
CID 161735010
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-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-[4-(trifluoromethoxy)anilino]piperidin-1-yl]ethanone
CID 161751651
2-[4-[2,4-dimethyl-5-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-[3,4-dimethyl-5-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-methyl-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)propan-1-one;4-[2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyacetyl]-1-phenylpiperazin-2-one;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanethione;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-[4-methyl-3-(trifluoromethyl)phenoxy]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[(3S)-3-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]cyclopentyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;1-(4-phenylpiperazin-1-yl)-2-[4-[2,3,4-trimethyl-5-(trifluoromethyl)anilino]cyclohexyl]oxyethanone
CID 161829977
CID 161914330
CID 161914330
2-[4-(3,5-Dimethyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-methyl-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)propan-1-one;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanethione;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-(3-methyl-4-nitrophenoxy)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanethione;2-[4-(3-methyl-4-nitrophenoxy)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;1-(4-phenylpiperazin-1-yl)-2-[4-(2,3,5-trimethyl-4-nitroanilino)cyclohexyl]oxyethanone
CID 159679905
1-[4-(4-Chlorophenyl)piperidin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(4-methoxyphenyl)piperidin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;2-methyl-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]propan-1-one;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperidin-1-yl]ethanone;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-phenoxyphenyl)piperidin-1-yl]ethanone;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-propylphenyl)piperidin-1-yl]ethanone
CID 161353614

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-dimethyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-methyl-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)propan-1-one;4-[2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyacetyl]-1-phenylpiperazin-2-one;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanethione;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-(3-methyl-4-nitrophenoxy)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;1-(4-phenylpiperazin-1-yl)-2-[4-(2,3,5-trimethyl-4-nitroanilino)cyclohexyl]oxyethanone?
The IUPAC name of 2-[4-(3,5-dimethyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-methyl-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)propan-1-one;4-[2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyacetyl]-1-phenylpiperazin-2-one;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanethione;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-(3-methyl-4-nitrophenoxy)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;1-(4-phenylpiperazin-1-yl)-2-[4-(2,3,5-trimethyl-4-nitroanilino)cyclohexyl]oxyethanone (CID 161223159) is 2-[4-(3,5-dimethyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-methyl-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)propan-1-one;4-[2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyacetyl]-1-phenylpiperazin-2-one;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanethione;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-(3-methyl-4-nitrophenoxy)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;1-(4-phenylpiperazin-1-yl)-2-[4-(2,3,5-trimethyl-4-nitroanilino)cyclohexyl]oxyethanone.
What is the SMILES notation for 2-[4-(3,5-dimethyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-methyl-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)propan-1-one;4-[2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyacetyl]-1-phenylpiperazin-2-one;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanethione;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-(3-methyl-4-nitrophenoxy)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;1-(4-phenylpiperazin-1-yl)-2-[4-(2,3,5-trimethyl-4-nitroanilino)cyclohexyl]oxyethanone?
The canonical SMILES for 2-[4-(3,5-dimethyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-methyl-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)propan-1-one;4-[2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyacetyl]-1-phenylpiperazin-2-one;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanethione;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-(3-methyl-4-nitrophenoxy)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;1-(4-phenylpiperazin-1-yl)-2-[4-(2,3,5-trimethyl-4-nitroanilino)cyclohexyl]oxyethanone is Cc1cc(NC2CCC(OC(C)(C)C(=O)N3CCN(c4ccccc4)CC3)CC2)ccc1[N+](=O)[O-].Cc1cc(NC2CCC(OCC(=O)N3CCN(c4ccccc4)C(=O)C3)CC2)ccc1[N+](=O)[O-].Cc1cc(NC2CCC(OCC(=O)N3CCN(c4ccccc4)CC3)CC2)c(C)c(C)c1[N+](=O)[O-].Cc1cc(NC2CCC(OCC(=O)N3CCN(c4ccccc4)CC3)CC2)cc(C)c1[N+](=O)[O-].Cc1cc(NC2CCC(OCC(=O)N3CCN(c4ccccc4)CC3)CC2)ccc1[N+](=O)[O-].Cc1cc(NC2CCC(OCC(=S)N3CCN(c4ccccc4)CC3)CC2)ccc1[N+](=O)[O-].Cc1cc(OC2CCC(OCC(=O)N3CCN(c4ccccc4)CC3)CC2)ccc1[N+](=O)[O-].
What is the InChIKey of 2-[4-(3,5-dimethyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-methyl-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)propan-1-one;4-[2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyacetyl]-1-phenylpiperazin-2-one;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanethione;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-(3-methyl-4-nitrophenoxy)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;1-(4-phenylpiperazin-1-yl)-2-[4-(2,3,5-trimethyl-4-nitroanilino)cyclohexyl]oxyethanone?
The InChIKey is UXTYZOFNXKNDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H36N4O4.C26H34N4O4.C25H30N4O5.C25H32N4O4.C25H32N4O3S.C25H31N3O5/c1-20-19-22(11-14-25(20)31(33)34)28-21-9-12-24(13-10-21)35-27(2,3)26(32)30-17-15-29(16-18-30)23-7-5-4-6-8-23;1-19-17-25(20(2)21(3)27(19)31(33)34)28-22-9-11-24(12-10-22)35-18-26(32)30-15-13-29(14-16-30)23-7-5-4-6-8-23;1-19-16-22(17-20(2)26(19)30(32)33)27-21-8-10-24(11-9-21)34-18-25(31)29-14-12-28(13-15-29)23-6-4-3-5-7-23;1-18-15-20(9-12-23(18)29(32)33)26-19-7-10-22(11-8-19)34-17-25(31)27-13-14-28(24(30)16-27)21-5-3-2-4-6-21;1-19-17-21(9-12-24(19)29(31)32)26-20-7-10-23(11-8-20)33-18-25(30)28-15-13-27(14-16-28)22-5-3-2-4-6-22;1-19-17-21(9-12-24(19)29(30)31)26-20-7-10-23(11-8-20)32-18-25(33)28-15-13-27(14-16-28)22-5-3-2-4-6-22;1-19-17-23(11-12-24(19)28(30)31)33-22-9-7-21(8-10-22)32-18-25(29)27-15-13-26(14-16-27)20-5-3-2-4-6-20/h4-8,11,14,19,21,24,28H,9-10,12-13,15-18H2,1-3H3;4-8,17,22,24,28H,9-16,18H2,1-3H3;3-7,16-17,21,24,27H,8-15,18H2,1-2H3;2-6,9,12,15,19,22,26H,7-8,10-11,13-14,16-17H2,1H3;2*2-6,9,12,17,20,23,26H,7-8,10-11,13-16,18H2,1H3;2-6,11-12,17,21-22H,7-10,13-16,18H2,1H3.
What are the key properties of 2-[4-(3,5-dimethyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-methyl-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)propan-1-one;4-[2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyacetyl]-1-phenylpiperazin-2-one;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanethione;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-(3-methyl-4-nitrophenoxy)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;1-(4-phenylpiperazin-1-yl)-2-[4-(2,3,5-trimethyl-4-nitroanilino)cyclohexyl]oxyethanone?
2-[4-(3,5-dimethyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-methyl-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)propan-1-one;4-[2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyacetyl]-1-phenylpiperazin-2-one;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanethione;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-(3-methyl-4-nitrophenoxy)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;1-(4-phenylpiperazin-1-yl)-2-[4-(2,3,5-trimethyl-4-nitroanilino)cyclohexyl]oxyethanone has a molecular weight of 3269.05 g/mol, XLogP of 29.94, 49 rotatable bonds, 6 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,5-dimethyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-methyl-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)propan-1-one;4-[2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyacetyl]-1-phenylpiperazin-2-one;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanethione;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-(3-methyl-4-nitrophenoxy)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;1-(4-phenylpiperazin-1-yl)-2-[4-(2,3,5-trimethyl-4-nitroanilino)cyclohexyl]oxyethanone is sourced from PubChem (CID 161223159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).