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

C143H177F3N20O23 — CID 160848957

About 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

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 (PubChem CID 160848957) has the molecular formula C143H177F3N20O23 and a molecular weight of 2601.10 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 160848957
• Molecular Formula: C143H177F3N20O23
• Molecular Weight: 2601.10 g/mol
• Exact Mass: 2599.32
• IUPAC Name: 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
• SMILES: CCc1ccccc1N1CCN(C(=O)COC2CCC(Nc3ccc([N+](=O)[O-])c(C)c3)CC2)CC1.COc1ccc(N2CCN(C(=O)COC3CCC(Nc4ccc([N+](=O)[O-])c(C)c4)CC3)CC2)cc1OC.Cc1cc(NC2CCC(OCC(=O)N3CCN(c4ccc(OCc5ccccc5)cc4)CC3)CC2)ccc1[N+](=O)[O-].Cc1cc(NC2CCC(OCC(=O)N3CCN(c4ccccc4-c4ccccc4)CC3)CC2)ccc1[N+](=O)[O-].Cc1cc(NC2CCC(OCC(=O)N3CCN(c4ccccc4C(F)(F)F)CC3)CC2)ccc1[N+](=O)[O-]
• InChI: InChI=1S/C32H38N4O5.C31H36N4O4.C27H36N4O6.C27H36N4O4.C26H31F3N4O4/c1-24-21-27(9-16-31(24)36(38)39)33-26-7-12-29(13-8-26)41-23-32(37)35-19-17-34(18-20-35)28-10-14-30(15-11-28)40-22-25-5-3-2-4-6-25;1-23-21-26(13-16-29(23)35(37)38)32-25-11-14-27(15-12-25)39-22-31(36)34-19-17-33(18-20-34)30-10-6-5-9-28(30)24-7-3-2-4-8-24;1-19-16-21(6-10-24(19)31(33)34)28-20-4-8-23(9-5-20)37-18-27(32)30-14-12-29(13-15-30)22-7-11-25(35-2)26(17-22)36-3;1-3-21-6-4-5-7-26(21)29-14-16-30(17-15-29)27(32)19-35-24-11-8-22(9-12-24)28-23-10-13-25(31(33)34)20(2)18-23;1-18-16-20(8-11-23(18)33(35)36)30-19-6-9-21(10-7-19)37-17-25(34)32-14-12-31(13-15-32)24-5-3-2-4-22(24)26(27,28)29/h2-6,9-11,14-16,21,26,29,33H,7-8,12-13,17-20,22-23H2,1H3;2-10,13,16,21,25,27,32H,11-12,14-15,17-20,22H2,1H3;6-7,10-11,16-17,20,23,28H,4-5,8-9,12-15,18H2,1-3H3;4-7,10,13,18,22,24,28H,3,8-9,11-12,14-17,19H2,1-2H3;2-5,8,11,16,19,21,30H,6-7,9-10,12-15,17H2,1H3
• InChIKey: SIZXTKBPFRPOEQ-UHFFFAOYSA-N
• XLogP: 24.80
• TPSA: 467.44 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 33
• Rotatable Bonds: 42
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2601.10
LogP ≤ 5	24.80
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CCc1ccccc1N1CCN(C(=O)COC2CCC(Nc3ccc([N+](=O)[O-])c(C)c3)CC2)CC1.COc1ccc(N2CCN(C(=O)COC3CCC(Nc4ccc([N+](=O)[O-])c(C)c4)CC3)CC2)cc1OC.Cc1cc(NC2CCC(OCC(=O)N3CCN(c4ccc(OCc5ccccc5)cc4)CC3)CC2)ccc1[N+](=O)[O-].Cc1cc(NC2CCC(OCC(=O)N3CCN(c4ccccc4-c4ccccc4)CC3)CC2)ccc1[N+](=O)[O-].Cc1cc(NC2CCC(OCC(=O)N3CCN(c4ccccc4C(F)(F)F)CC3)CC2)ccc1[N+](=O)[O-].

What is the InChIKey of 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?

The InChIKey is SIZXTKBPFRPOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N4O5.C31H36N4O4.C27H36N4O6.C27H36N4O4.C26H31F3N4O4/c1-24-21-27(9-16-31(24)36(38)39)33-26-7-12-29(13-8-26)41-23-32(37)35-19-17-34(18-20-35)28-10-14-30(15-11-28)40-22-25-5-3-2-4-6-25;1-23-21-26(13-16-29(23)35(37)38)32-25-11-14-27(15-12-25)39-22-31(36)34-19-17-33(18-20-34)30-10-6-5-9-28(30)24-7-3-2-4-8-24;1-19-16-21(6-10-24(19)31(33)34)28-20-4-8-23(9-5-20)37-18-27(32)30-14-12-29(13-15-30)22-7-11-25(35-2)26(17-22)36-3;1-3-21-6-4-5-7-26(21)29-14-16-30(17-15-29)27(32)19-35-24-11-8-22(9-12-24)28-23-10-13-25(31(33)34)20(2)18-23;1-18-16-20(8-11-23(18)33(35)36)30-19-6-9-21(10-7-19)37-17-25(34)32-14-12-31(13-15-32)24-5-3-2-4-22(24)26(27,28)29/h2-6,9-11,14-16,21,26,29,33H,7-8,12-13,17-20,22-23H2,1H3;2-10,13,16,21,25,27,32H,11-12,14-15,17-20,22H2,1H3;6-7,10-11,16-17,20,23,28H,4-5,8-9,12-15,18H2,1-3H3;4-7,10,13,18,22,24,28H,3,8-9,11-12,14-17,19H2,1-2H3;2-5,8,11,16,19,21,30H,6-7,9-10,12-15,17H2,1H3.

What are the key properties of 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?

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 has a molecular weight of 2601.10 g/mol, XLogP of 24.80, 42 rotatable bonds, 5 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 160848957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).