1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(4-isocyanophenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-[4-isocyano-3-(trifluoromethyl)phenyl]piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone

C154H188Cl3F3N26O25 — CID 159412709

About 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(4-isocyanophenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-[4-isocyano-3-(trifluoromethyl)phenyl]piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone

1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(4-isocyanophenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-[4-isocyano-3-(trifluoromethyl)phenyl]piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone (PubChem CID 159412709) has the molecular formula C154H188Cl3F3N26O25 and a molecular weight of 2966.71 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(4-isocyanophenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-[4-isocyano-3-(trifluoromethyl)phenyl]piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone.

Molecular Properties

• Compound Name: 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(4-isocyanophenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-[4-isocyano-3-(trifluoromethyl)phenyl]piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone
• PubChem CID: 159412709
• Molecular Formula: C154H188Cl3F3N26O25
• Molecular Weight: 2966.71 g/mol
• Exact Mass: 2963.33
• IUPAC Name: 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(4-isocyanophenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-[4-isocyano-3-(trifluoromethyl)phenyl]piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone
• SMILES: COc1cccc(N2CCN(C(=O)COC3CCC(Nc4ccc([N+](=O)[O-])c(C)c4)CC3)CC2)c1.Cc1cc(NC2CCC(OCC(=O)N3CCN(c4ccc(Cl)c(Cl)c4)CC3)CC2)ccc1[N+](=O)[O-].Cc1cc(NC2CCC(OCC(=O)N3CCN(c4ccc(Cl)cc4)CC3)CC2)ccc1[N+](=O)[O-].Cc1cc(NC2CCC(OCC(=O)N3CCN(c4ccccc4)CC3)CC2)ccc1[N+](=O)[O-].[C-]#[N+]c1ccc(N2CCN(C(=O)COC3CCC(Nc4ccc([N+](=O)[O-])c(C)c4)CC3)CC2)cc1.[C-]#[N+]c1ccc(N2CCN(C(=O)COC3CCC(Nc4ccc([N+](=O)[O-])c(C)c4)CC3)CC2)cc1C(F)(F)F
• InChI: InChI=1S/C27H30F3N5O4.C26H31N5O4.C26H34N4O5.C25H30Cl2N4O4.C25H31ClN4O4.C25H32N4O4/c1-18-15-20(5-10-25(18)35(37)38)32-19-3-7-22(8-4-19)39-17-26(36)34-13-11-33(12-14-34)21-6-9-24(31-2)23(16-21)27(28,29)30;1-19-17-22(7-12-25(19)31(33)34)28-21-5-10-24(11-6-21)35-18-26(32)30-15-13-29(14-16-30)23-8-3-20(27-2)4-9-23;1-19-16-21(8-11-25(19)30(32)33)27-20-6-9-23(10-7-20)35-18-26(31)29-14-12-28(13-15-29)22-4-3-5-24(17-22)34-2;1-17-14-19(4-9-24(17)31(33)34)28-18-2-6-21(7-3-18)35-16-25(32)30-12-10-29(11-13-30)20-5-8-22(26)23(27)15-20;1-18-16-21(6-11-24(18)30(32)33)27-20-4-9-23(10-5-20)34-17-25(31)29-14-12-28(13-15-29)22-7-2-19(26)3-8-22;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/h5-6,9-10,15-16,19,22,32H,3-4,7-8,11-14,17H2,1H3;3-4,7-9,12,17,21,24,28H,5-6,10-11,13-16,18H2,1H3;3-5,8,11,16-17,20,23,27H,6-7,9-10,12-15,18H2,1-2H3;4-5,8-9,14-15,18,21,28H,2-3,6-7,10-13,16H2,1H3;2-3,6-8,11,16,20,23,27H,4-5,9-10,12-15,17H2,1H3;2-6,9,12,17,20,23,26H,7-8,10-11,13-16,18H2,1H3
• InChIKey: LOTVUPGMHCNYMX-UHFFFAOYSA-N
• XLogP: 28.04
• TPSA: 545.65 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 37
• Rotatable Bonds: 43
• Heavy Atoms: 211
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2966.71
LogP ≤ 5	28.04
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', '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-(4-chlorophenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(4-isocyanophenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-[4-isocyano-3-(trifluoromethyl)phenyl]piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone?

The IUPAC name of 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(4-isocyanophenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-[4-isocyano-3-(trifluoromethyl)phenyl]piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone (CID 159412709) is 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(4-isocyanophenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-[4-isocyano-3-(trifluoromethyl)phenyl]piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone.

What is the SMILES notation for 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(4-isocyanophenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-[4-isocyano-3-(trifluoromethyl)phenyl]piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone?

The canonical SMILES for 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(4-isocyanophenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-[4-isocyano-3-(trifluoromethyl)phenyl]piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone is COc1cccc(N2CCN(C(=O)COC3CCC(Nc4ccc([N+](=O)[O-])c(C)c4)CC3)CC2)c1.Cc1cc(NC2CCC(OCC(=O)N3CCN(c4ccc(Cl)c(Cl)c4)CC3)CC2)ccc1[N+](=O)[O-].Cc1cc(NC2CCC(OCC(=O)N3CCN(c4ccc(Cl)cc4)CC3)CC2)ccc1[N+](=O)[O-].Cc1cc(NC2CCC(OCC(=O)N3CCN(c4ccccc4)CC3)CC2)ccc1[N+](=O)[O-].[C-]#[N+]c1ccc(N2CCN(C(=O)COC3CCC(Nc4ccc([N+](=O)[O-])c(C)c4)CC3)CC2)cc1.[C-]#[N+]c1ccc(N2CCN(C(=O)COC3CCC(Nc4ccc([N+](=O)[O-])c(C)c4)CC3)CC2)cc1C(F)(F)F.

What is the InChIKey of 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(4-isocyanophenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-[4-isocyano-3-(trifluoromethyl)phenyl]piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone?

The InChIKey is LOTVUPGMHCNYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30F3N5O4.C26H31N5O4.C26H34N4O5.C25H30Cl2N4O4.C25H31ClN4O4.C25H32N4O4/c1-18-15-20(5-10-25(18)35(37)38)32-19-3-7-22(8-4-19)39-17-26(36)34-13-11-33(12-14-34)21-6-9-24(31-2)23(16-21)27(28,29)30;1-19-17-22(7-12-25(19)31(33)34)28-21-5-10-24(11-6-21)35-18-26(32)30-15-13-29(14-16-30)23-8-3-20(27-2)4-9-23;1-19-16-21(8-11-25(19)30(32)33)27-20-6-9-23(10-7-20)35-18-26(31)29-14-12-28(13-15-29)22-4-3-5-24(17-22)34-2;1-17-14-19(4-9-24(17)31(33)34)28-18-2-6-21(7-3-18)35-16-25(32)30-12-10-29(11-13-30)20-5-8-22(26)23(27)15-20;1-18-16-21(6-11-24(18)30(32)33)27-20-4-9-23(10-5-20)34-17-25(31)29-14-12-28(13-15-29)22-7-2-19(26)3-8-22;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/h5-6,9-10,15-16,19,22,32H,3-4,7-8,11-14,17H2,1H3;3-4,7-9,12,17,21,24,28H,5-6,10-11,13-16,18H2,1H3;3-5,8,11,16-17,20,23,27H,6-7,9-10,12-15,18H2,1-2H3;4-5,8-9,14-15,18,21,28H,2-3,6-7,10-13,16H2,1H3;2-3,6-8,11,16,20,23,27H,4-5,9-10,12-15,17H2,1H3;2-6,9,12,17,20,23,26H,7-8,10-11,13-16,18H2,1H3.

What are the key properties of 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(4-isocyanophenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-[4-isocyano-3-(trifluoromethyl)phenyl]piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone?

1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(4-isocyanophenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-[4-isocyano-3-(trifluoromethyl)phenyl]piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone has a molecular weight of 2966.71 g/mol, XLogP of 28.04, 43 rotatable bonds, 6 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(4-isocyanophenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-[4-isocyano-3-(trifluoromethyl)phenyl]piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone is sourced from PubChem (CID 159412709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).