1-[4-[3,4-bis(trifluoromethyl)phenyl]piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;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-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone

C158H196Cl3F9N24O24 — CID 159363902

About 1-[4-[3,4-bis(trifluoromethyl)phenyl]piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;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-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone

1-[4-[3,4-bis(trifluoromethyl)phenyl]piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;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-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone (PubChem CID 159363902) has the molecular formula C158H196Cl3F9N24O24 and a molecular weight of 3092.79 g/mol. Its IUPAC name is 1-[4-[3,4-bis(trifluoromethyl)phenyl]piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;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-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[4-[3,4-bis(trifluoromethyl)phenyl]piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;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-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
• PubChem CID: 159363902
• Molecular Formula: C158H196Cl3F9N24O24
• Molecular Weight: 3092.79 g/mol
• Exact Mass: 3089.38
• IUPAC Name: 1-[4-[3,4-bis(trifluoromethyl)phenyl]piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;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-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
• SMILES: Cc1cc(NC2CCC(OCC(=O)N3CCN(c4ccc(C(C)(C)C)cc4)CC3)CC2)ccc1[N+](=O)[O-].Cc1cc(NC2CCC(OCC(=O)N3CCN(c4ccc(C(F)(F)F)c(C(F)(F)F)c4)CC3)CC2)ccc1[N+](=O)[O-].Cc1cc(NC2CCC(OCC(=O)N3CCN(c4ccc(Cl)cc4Cl)CC3)CC2)ccc1[N+](=O)[O-].Cc1cc(NC2CCC(OCC(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)CC2)ccc1[N+](=O)[O-].Cc1cc(NC2CCC(OCC(=O)N3CCN(c4cccc(Cl)c4)CC3)CC2)ccc1[N+](=O)[O-].Cc1ccc(N2CCN(C(=O)COC3CCC(Nc4ccc([N+](=O)[O-])c(C)c4)CC3)CC2)cc1
• InChI: InChI=1S/C29H40N4O4.C27H30F6N4O4.C26H31F3N4O4.C26H34N4O4.C25H30Cl2N4O4.C25H31ClN4O4/c1-21-19-24(9-14-27(21)33(35)36)30-23-7-12-26(13-8-23)37-20-28(34)32-17-15-31(16-18-32)25-10-5-22(6-11-25)29(2,3)4;1-17-14-19(4-9-24(17)37(39)40)34-18-2-6-21(7-3-18)41-16-25(38)36-12-10-35(11-13-36)20-5-8-22(26(28,29)30)23(15-20)27(31,32)33;1-18-15-21(7-10-24(18)33(35)36)30-20-5-8-23(9-6-20)37-17-25(34)32-13-11-31(12-14-32)22-4-2-3-19(16-22)26(27,28)29;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;1-17-14-20(5-9-23(17)31(33)34)28-19-3-6-21(7-4-19)35-16-25(32)30-12-10-29(11-13-30)24-8-2-18(26)15-22(24)27;1-18-15-21(7-10-24(18)30(32)33)27-20-5-8-23(9-6-20)34-17-25(31)29-13-11-28(12-14-29)22-4-2-3-19(26)16-22/h5-6,9-11,14,19,23,26,30H,7-8,12-13,15-18,20H2,1-4H3;4-5,8-9,14-15,18,21,34H,2-3,6-7,10-13,16H2,1H3;2-4,7,10,15-16,20,23,30H,5-6,8-9,11-14,17H2,1H3;3-4,7-9,12,17,21,24,27H,5-6,10-11,13-16,18H2,1-2H3;2,5,8-9,14-15,19,21,28H,3-4,6-7,10-13,16H2,1H3;2-4,7,10,15-16,20,23,27H,5-6,8-9,11-14,17H2,1H3
• InChIKey: LIWORUZBXRYYDU-UHFFFAOYSA-N
• XLogP: 30.57
• TPSA: 527.70 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 36
• Rotatable Bonds: 42
• Heavy Atoms: 218
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3092.79
LogP ≤ 5	30.57
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'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'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3,4-bis(trifluoromethyl)phenyl]piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;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-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone?

The IUPAC name of 1-[4-[3,4-bis(trifluoromethyl)phenyl]piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;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-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone (CID 159363902) is 1-[4-[3,4-bis(trifluoromethyl)phenyl]piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;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-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone.

What is the SMILES notation for 1-[4-[3,4-bis(trifluoromethyl)phenyl]piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;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-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone?

The canonical SMILES for 1-[4-[3,4-bis(trifluoromethyl)phenyl]piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;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-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone is Cc1cc(NC2CCC(OCC(=O)N3CCN(c4ccc(C(C)(C)C)cc4)CC3)CC2)ccc1[N+](=O)[O-].Cc1cc(NC2CCC(OCC(=O)N3CCN(c4ccc(C(F)(F)F)c(C(F)(F)F)c4)CC3)CC2)ccc1[N+](=O)[O-].Cc1cc(NC2CCC(OCC(=O)N3CCN(c4ccc(Cl)cc4Cl)CC3)CC2)ccc1[N+](=O)[O-].Cc1cc(NC2CCC(OCC(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)CC2)ccc1[N+](=O)[O-].Cc1cc(NC2CCC(OCC(=O)N3CCN(c4cccc(Cl)c4)CC3)CC2)ccc1[N+](=O)[O-].Cc1ccc(N2CCN(C(=O)COC3CCC(Nc4ccc([N+](=O)[O-])c(C)c4)CC3)CC2)cc1.

What is the InChIKey of 1-[4-[3,4-bis(trifluoromethyl)phenyl]piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;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-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone?

The InChIKey is LIWORUZBXRYYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40N4O4.C27H30F6N4O4.C26H31F3N4O4.C26H34N4O4.C25H30Cl2N4O4.C25H31ClN4O4/c1-21-19-24(9-14-27(21)33(35)36)30-23-7-12-26(13-8-23)37-20-28(34)32-17-15-31(16-18-32)25-10-5-22(6-11-25)29(2,3)4;1-17-14-19(4-9-24(17)37(39)40)34-18-2-6-21(7-3-18)41-16-25(38)36-12-10-35(11-13-36)20-5-8-22(26(28,29)30)23(15-20)27(31,32)33;1-18-15-21(7-10-24(18)33(35)36)30-20-5-8-23(9-6-20)37-17-25(34)32-13-11-31(12-14-32)22-4-2-3-19(16-22)26(27,28)29;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;1-17-14-20(5-9-23(17)31(33)34)28-19-3-6-21(7-4-19)35-16-25(32)30-12-10-29(11-13-30)24-8-2-18(26)15-22(24)27;1-18-15-21(7-10-24(18)30(32)33)27-20-5-8-23(9-6-20)34-17-25(31)29-13-11-28(12-14-29)22-4-2-3-19(26)16-22/h5-6,9-11,14,19,23,26,30H,7-8,12-13,15-18,20H2,1-4H3;4-5,8-9,14-15,18,21,34H,2-3,6-7,10-13,16H2,1H3;2-4,7,10,15-16,20,23,30H,5-6,8-9,11-14,17H2,1H3;3-4,7-9,12,17,21,24,27H,5-6,10-11,13-16,18H2,1-2H3;2,5,8-9,14-15,19,21,28H,3-4,6-7,10-13,16H2,1H3;2-4,7,10,15-16,20,23,27H,5-6,8-9,11-14,17H2,1H3.

What are the key properties of 1-[4-[3,4-bis(trifluoromethyl)phenyl]piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;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-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone?

1-[4-[3,4-bis(trifluoromethyl)phenyl]piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;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-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone has a molecular weight of 3092.79 g/mol, XLogP of 30.57, 42 rotatable bonds, 6 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[3,4-bis(trifluoromethyl)phenyl]piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;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-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 159363902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).