1-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[2,5-dimethyl-4-(4-methylphenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;2-[4-(N,3-dimethyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;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-(2-methylpropoxy)phenyl]piperazin-1-yl]ethanone;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]piperazin-1-yl]ethanone

C171H223F3N24O28 — CID 159241499

IUPAC1-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[2,5-dimethyl-4-(4-methylphenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;2-[4-(N,3-dimethyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;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-(2-methylpropoxy)phenyl]piperazin-1-yl]ethanone;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]piperazin-1-yl]ethanone
SMILESCOc1ccc(N2CCN(C(=O)COC3CCC(Nc4ccc([N+](=O)[O-])c(C)c4)CC3)CC2)c(OC)c1.Cc1cc(NC2CCC(OCC(=O)N3CCN(c4ccc(OCC(C)C)cc4)CC3)CC2)ccc1[N+](=O)[O-].Cc1cc(NC2CCC(OCC(=O)N3CCN(c4ccc(OCc5ccc(C(F)(F)F)cc5)cc4)CC3)CC2)ccc1[N+](=O)[O-].Cc1ccc(N2CC(C)N(C(=O)COC3CCC(Nc4ccc([N+](=O)[O-])c(C)c4)CC3)CC2C)cc1.Cc1ccc(N2CCN(C(=O)C(C)OC3CCC(Nc4ccc([N+](=O)[O-])c(C)c4)CC3)CC2)cc1.Cc1ccc(N2CCN(C(=O)COC3CCC(N(C)c4ccc([N+](=O)[O-])c(C)c4)CC3)CC2)cc1
InChIInChI=1S/C33H37F3N4O5.C29H40N4O5.C28H38N4O4.C27H36N4O6.2C27H36N4O4/c1-23-20-27(8-15-31(23)40(42)43)37-26-6-11-29(12-7-26)45-22-32(41)39-18-16-38(17-19-39)28-9-13-30(14-10-28)44-21-24-2-4-25(5-3-24)33(34,35)36;1-21(2)19-37-27-11-7-25(8-12-27)31-14-16-32(17-15-31)29(34)20-38-26-9-4-23(5-10-26)30-24-6-13-28(33(35)36)22(3)18-24;1-19-5-10-25(11-6-19)30-16-22(4)31(17-21(30)3)28(33)18-36-26-12-7-23(8-13-26)29-24-9-14-27(32(34)35)20(2)15-24;1-19-16-21(6-10-24(19)31(33)34)28-20-4-7-22(8-5-20)37-18-27(32)30-14-12-29(13-15-30)25-11-9-23(35-2)17-26(25)36-3;1-19-4-9-24(10-5-19)29-14-16-30(17-15-29)27(32)21(3)35-25-11-6-22(7-12-25)28-23-8-13-26(31(33)34)20(2)18-23;1-20-4-6-23(7-5-20)29-14-16-30(17-15-29)27(32)19-35-25-11-8-22(9-12-25)28(3)24-10-13-26(31(33)34)21(2)18-24/h2-5,8-10,13-15,20,26,29,37H,6-7,11-12,16-19,21-22H2,1H3;6-8,11-13,18,21,23,26,30H,4-5,9-10,14-17,19-20H2,1-3H3;5-6,9-11,14-15,21-23,26,29H,7-8,12-13,16-18H2,1-4H3;6,9-11,16-17,20,22,28H,4-5,7-8,12-15,18H2,1-3H3;4-5,8-10,13,18,21-22,25,28H,6-7,11-12,14-17H2,1-3H3;4-7,10,13,18,22,25H,8-9,11-12,14-17,19H2,1-3H3
InChIKeyKUDRPZAGTYAJTM-UHFFFAOYSA-N
MW3119.80 g/mol
LogP29.72
Rot. Bonds50

About 1-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[2,5-dimethyl-4-(4-methylphenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;2-[4-(N,3-dimethyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;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-(2-methylpropoxy)phenyl]piperazin-1-yl]ethanone;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]piperazin-1-yl]ethanone

1-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[2,5-dimethyl-4-(4-methylphenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;2-[4-(N,3-dimethyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;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-(2-methylpropoxy)phenyl]piperazin-1-yl]ethanone;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]piperazin-1-yl]ethanone (PubChem CID 159241499) has the molecular formula C171H223F3N24O28 and a molecular weight of 3119.80 g/mol. Its IUPAC name is 1-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[2,5-dimethyl-4-(4-methylphenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;2-[4-(N,3-dimethyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;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-(2-methylpropoxy)phenyl]piperazin-1-yl]ethanone;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[2,5-dimethyl-4-(4-methylphenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;2-[4-(N,3-dimethyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;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-(2-methylpropoxy)phenyl]piperazin-1-yl]ethanone;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]piperazin-1-yl]ethanone
PubChem CID159241499
Molecular FormulaC171H223F3N24O28
Molecular Weight3119.80 g/mol
Exact Mass3117.67
IUPAC Name1-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[2,5-dimethyl-4-(4-methylphenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;2-[4-(N,3-dimethyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;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-(2-methylpropoxy)phenyl]piperazin-1-yl]ethanone;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]piperazin-1-yl]ethanone
SMILESCOc1ccc(N2CCN(C(=O)COC3CCC(Nc4ccc([N+](=O)[O-])c(C)c4)CC3)CC2)c(OC)c1.Cc1cc(NC2CCC(OCC(=O)N3CCN(c4ccc(OCC(C)C)cc4)CC3)CC2)ccc1[N+](=O)[O-].Cc1cc(NC2CCC(OCC(=O)N3CCN(c4ccc(OCc5ccc(C(F)(F)F)cc5)cc4)CC3)CC2)ccc1[N+](=O)[O-].Cc1ccc(N2CC(C)N(C(=O)COC3CCC(Nc4ccc([N+](=O)[O-])c(C)c4)CC3)CC2C)cc1.Cc1ccc(N2CCN(C(=O)C(C)OC3CCC(Nc4ccc([N+](=O)[O-])c(C)c4)CC3)CC2)cc1.Cc1ccc(N2CCN(C(=O)COC3CCC(N(C)c4ccc([N+](=O)[O-])c(C)c4)CC3)CC2)cc1
InChIInChI=1S/C33H37F3N4O5.C29H40N4O5.C28H38N4O4.C27H36N4O6.2C27H36N4O4/c1-23-20-27(8-15-31(23)40(42)43)37-26-6-11-29(12-7-26)45-22-32(41)39-18-16-38(17-19-39)28-9-13-30(14-10-28)44-21-24-2-4-25(5-3-24)33(34,35)36;1-21(2)19-37-27-11-7-25(8-12-27)31-14-16-32(17-15-31)29(34)20-38-26-9-4-23(5-10-26)30-24-6-13-28(33(35)36)22(3)18-24;1-19-5-10-25(11-6-19)30-16-22(4)31(17-21(30)3)28(33)18-36-26-12-7-23(8-13-26)29-24-9-14-27(32(34)35)20(2)15-24;1-19-16-21(6-10-24(19)31(33)34)28-20-4-7-22(8-5-20)37-18-27(32)30-14-12-29(13-15-30)25-11-9-23(35-2)17-26(25)36-3;1-19-4-9-24(10-5-19)29-14-16-30(17-15-29)27(32)21(3)35-25-11-6-22(7-12-25)28-23-8-13-26(31(33)34)20(2)18-23;1-20-4-6-23(7-5-20)29-14-16-30(17-15-29)27(32)19-35-25-11-8-22(9-12-25)28(3)24-10-13-26(31(33)34)21(2)18-24/h2-5,8-10,13-15,20,26,29,37H,6-7,11-12,16-19,21-22H2,1H3;6-8,11-13,18,21,23,26,30H,4-5,9-10,14-17,19-20H2,1-3H3;5-6,9-11,14-15,21-23,26,29H,7-8,12-13,16-18H2,1-4H3;6,9-11,16-17,20,22,28H,4-5,7-8,12-15,18H2,1-3H3;4-5,8-10,13,18,21-22,25,28H,6-7,11-12,14-17H2,1-3H3;4-7,10,13,18,22,25H,8-9,11-12,14-17,19H2,1-3H3
InChIKeyKUDRPZAGTYAJTM-UHFFFAOYSA-N
XLogP29.72
TPSA555.83 Ų
H-Bond Donors5
H-Bond Acceptors40
Rotatable Bonds50
Heavy Atoms226
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003119.80
LogP ≤ 529.72
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[2,5-dimethyl-4-(4-methylphenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;2-[4-(N,3-dimethyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;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-(2-methylpropoxy)phenyl]piperazin-1-yl]ethanone;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

2-[trans-4-(4-Nitro-3-trifluoromethyl-phenylamino)-cyclohexyloxy]-1-{4-[4-(4-trifluoromethyl-benzyloxy)-phenyl]-piperazin-1-yl}-ethanone
CID 44193930
1-[4-(2,4-Dimethoxyphenyl)piperazin-1-yl]-2-[4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone
CID 44193931
2-[4-(3-Methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]piperazin-1-yl]ethanone
CID 58118044
1-[4-[4-[(4-Methylphenyl)methoxy]phenyl]piperazin-1-yl]-2-[4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone
CID 58118456
1-[4-(2,4-Dimethoxyphenyl)piperazin-1-yl]-2-[4-[3-(fluoromethyl)-4-nitroanilino]cyclohexyl]oxyethanone
CID 70804203
Lithium;4-(3-methoxy-4-nitrophenoxy)piperidin-1-ium;1-[4-(3-methoxy-4-nitrophenoxy)piperidin-1-yl]-3-[4-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]piperazin-1-yl]propan-1-one;3-[4-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]piperazin-1-yl]propanoate;chloride
CID 158433029
CID 160951515
CID 160951515
1-[4-(2,4-Dimethoxyphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[2,5-dimethyl-4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-[4-(2-methylpropoxy)phenyl]piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;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
CID 161070830
1-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[2,5-dimethyl-4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[4-[N,4-dimethyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxypropan-1-one;1-[4-[4-(2-methylpropoxy)phenyl]piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;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
CID 161466303
1-[4-(2,4-Dimethoxyphenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone
CID 58118090
1-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[2,5-dimethyl-4-(4-methylphenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;2-[4-(N,3-dimethyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;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-(2-methylpropoxy)phenyl]piperazin-1-yl]ethanone
CID 157060049
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 1-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[2,5-dimethyl-4-(4-methylphenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;2-[4-(N,3-dimethyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;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-(2-methylpropoxy)phenyl]piperazin-1-yl]ethanone;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[2,5-dimethyl-4-(4-methylphenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;2-[4-(N,3-dimethyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;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-(2-methylpropoxy)phenyl]piperazin-1-yl]ethanone;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]piperazin-1-yl]ethanone (CID 159241499) is 1-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[2,5-dimethyl-4-(4-methylphenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;2-[4-(N,3-dimethyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;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-(2-methylpropoxy)phenyl]piperazin-1-yl]ethanone;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[2,5-dimethyl-4-(4-methylphenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;2-[4-(N,3-dimethyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;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-(2-methylpropoxy)phenyl]piperazin-1-yl]ethanone;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[2,5-dimethyl-4-(4-methylphenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;2-[4-(N,3-dimethyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;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-(2-methylpropoxy)phenyl]piperazin-1-yl]ethanone;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]piperazin-1-yl]ethanone is COc1ccc(N2CCN(C(=O)COC3CCC(Nc4ccc([N+](=O)[O-])c(C)c4)CC3)CC2)c(OC)c1.Cc1cc(NC2CCC(OCC(=O)N3CCN(c4ccc(OCC(C)C)cc4)CC3)CC2)ccc1[N+](=O)[O-].Cc1cc(NC2CCC(OCC(=O)N3CCN(c4ccc(OCc5ccc(C(F)(F)F)cc5)cc4)CC3)CC2)ccc1[N+](=O)[O-].Cc1ccc(N2CC(C)N(C(=O)COC3CCC(Nc4ccc([N+](=O)[O-])c(C)c4)CC3)CC2C)cc1.Cc1ccc(N2CCN(C(=O)C(C)OC3CCC(Nc4ccc([N+](=O)[O-])c(C)c4)CC3)CC2)cc1.Cc1ccc(N2CCN(C(=O)COC3CCC(N(C)c4ccc([N+](=O)[O-])c(C)c4)CC3)CC2)cc1.
What is the InChIKey of 1-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[2,5-dimethyl-4-(4-methylphenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;2-[4-(N,3-dimethyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;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-(2-methylpropoxy)phenyl]piperazin-1-yl]ethanone;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]piperazin-1-yl]ethanone?
The InChIKey is KUDRPZAGTYAJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37F3N4O5.C29H40N4O5.C28H38N4O4.C27H36N4O6.2C27H36N4O4/c1-23-20-27(8-15-31(23)40(42)43)37-26-6-11-29(12-7-26)45-22-32(41)39-18-16-38(17-19-39)28-9-13-30(14-10-28)44-21-24-2-4-25(5-3-24)33(34,35)36;1-21(2)19-37-27-11-7-25(8-12-27)31-14-16-32(17-15-31)29(34)20-38-26-9-4-23(5-10-26)30-24-6-13-28(33(35)36)22(3)18-24;1-19-5-10-25(11-6-19)30-16-22(4)31(17-21(30)3)28(33)18-36-26-12-7-23(8-13-26)29-24-9-14-27(32(34)35)20(2)15-24;1-19-16-21(6-10-24(19)31(33)34)28-20-4-7-22(8-5-20)37-18-27(32)30-14-12-29(13-15-30)25-11-9-23(35-2)17-26(25)36-3;1-19-4-9-24(10-5-19)29-14-16-30(17-15-29)27(32)21(3)35-25-11-6-22(7-12-25)28-23-8-13-26(31(33)34)20(2)18-23;1-20-4-6-23(7-5-20)29-14-16-30(17-15-29)27(32)19-35-25-11-8-22(9-12-25)28(3)24-10-13-26(31(33)34)21(2)18-24/h2-5,8-10,13-15,20,26,29,37H,6-7,11-12,16-19,21-22H2,1H3;6-8,11-13,18,21,23,26,30H,4-5,9-10,14-17,19-20H2,1-3H3;5-6,9-11,14-15,21-23,26,29H,7-8,12-13,16-18H2,1-4H3;6,9-11,16-17,20,22,28H,4-5,7-8,12-15,18H2,1-3H3;4-5,8-10,13,18,21-22,25,28H,6-7,11-12,14-17H2,1-3H3;4-7,10,13,18,22,25H,8-9,11-12,14-17,19H2,1-3H3.
What are the key properties of 1-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[2,5-dimethyl-4-(4-methylphenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;2-[4-(N,3-dimethyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;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-(2-methylpropoxy)phenyl]piperazin-1-yl]ethanone;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]piperazin-1-yl]ethanone?
1-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[2,5-dimethyl-4-(4-methylphenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;2-[4-(N,3-dimethyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;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-(2-methylpropoxy)phenyl]piperazin-1-yl]ethanone;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]piperazin-1-yl]ethanone has a molecular weight of 3119.80 g/mol, XLogP of 29.72, 50 rotatable bonds, 5 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[2,5-dimethyl-4-(4-methylphenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;2-[4-(N,3-dimethyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;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-(2-methylpropoxy)phenyl]piperazin-1-yl]ethanone;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 159241499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).