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

C160H188Cl3F21N20O13 — CID 162216122

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

1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(4-isocyanophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-[4-isocyano-3-(trifluoromethyl)phenyl]piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone (PubChem CID 162216122) has the molecular formula C160H188Cl3F21N20O13 and a molecular weight of 3104.71 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(4-isocyanophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-[4-isocyano-3-(trifluoromethyl)phenyl]piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone.

Molecular Properties

• Compound Name: 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(4-isocyanophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-[4-isocyano-3-(trifluoromethyl)phenyl]piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone
• PubChem CID: 162216122
• Molecular Formula: C160H188Cl3F21N20O13
• Molecular Weight: 3104.71 g/mol
• Exact Mass: 3101.34
• IUPAC Name: 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(4-isocyanophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-[4-isocyano-3-(trifluoromethyl)phenyl]piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone
• SMILES: COc1cccc(N2CCN(C(=O)COC3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)c1.Cc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccc(Cl)c(Cl)c4)CC3)CC2)cc1C(F)(F)F.Cc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccc(Cl)cc4)CC3)CC2)cc1C(F)(F)F.Cc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccccc4)CC3)CC2)cc1C(F)(F)F.[C-]#[N+]c1ccc(N2CCN(C(=O)COC3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1.[C-]#[N+]c1ccc(N2CCN(C(=O)COC3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1C(F)(F)F
• InChI: InChI=1S/C28H30F6N4O2.C27H31F3N4O2.C27H34F3N3O3.C26H30Cl2F3N3O2.C26H31ClF3N3O2.C26H32F3N3O2/c1-18-3-4-20(15-23(18)27(29,30)31)36-19-5-8-22(9-6-19)40-17-26(39)38-13-11-37(12-14-38)21-7-10-25(35-2)24(16-21)28(32,33)34;1-19-3-4-22(17-25(19)27(28,29)30)32-21-7-11-24(12-8-21)36-18-26(35)34-15-13-33(14-16-34)23-9-5-20(31-2)6-10-23;1-19-6-7-21(16-25(19)27(28,29)30)31-20-8-10-23(11-9-20)36-18-26(34)33-14-12-32(13-15-33)22-4-3-5-24(17-22)35-2;1-17-2-3-19(14-22(17)26(29,30)31)32-18-4-7-21(8-5-18)36-16-25(35)34-12-10-33(11-13-34)20-6-9-23(27)24(28)15-20;1-18-2-5-21(16-24(18)26(28,29)30)31-20-6-10-23(11-7-20)35-17-25(34)33-14-12-32(13-15-33)22-8-3-19(27)4-9-22;1-19-7-8-21(17-24(19)26(27,28)29)30-20-9-11-23(12-10-20)34-18-25(33)32-15-13-31(14-16-32)22-5-3-2-4-6-22/h3-4,7,10,15-16,19,22,36H,5-6,8-9,11-14,17H2,1H3;3-6,9-10,17,21,24,32H,7-8,11-16,18H2,1H3;3-7,16-17,20,23,31H,8-15,18H2,1-2H3;2-3,6,9,14-15,18,21,32H,4-5,7-8,10-13,16H2,1H3;2-5,8-9,16,20,23,31H,6-7,10-15,17H2,1H3;2-8,17,20,23,30H,9-16,18H2,1H3
• InChIKey: ZTMJFORYKNXWPI-UHFFFAOYSA-N
• XLogP: 34.70
• TPSA: 286.81 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 25
• Rotatable Bonds: 37
• Heavy Atoms: 217
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3104.71
LogP ≤ 5	34.70
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(4-isocyanophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-[4-isocyano-3-(trifluoromethyl)phenyl]piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone (CID 162216122) is 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(4-isocyanophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-[4-isocyano-3-(trifluoromethyl)phenyl]piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone.

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

The canonical SMILES for 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(4-isocyanophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-[4-isocyano-3-(trifluoromethyl)phenyl]piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone is COc1cccc(N2CCN(C(=O)COC3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)c1.Cc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccc(Cl)c(Cl)c4)CC3)CC2)cc1C(F)(F)F.Cc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccc(Cl)cc4)CC3)CC2)cc1C(F)(F)F.Cc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccccc4)CC3)CC2)cc1C(F)(F)F.[C-]#[N+]c1ccc(N2CCN(C(=O)COC3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1.[C-]#[N+]c1ccc(N2CCN(C(=O)COC3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1C(F)(F)F.

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

The InChIKey is ZTMJFORYKNXWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30F6N4O2.C27H31F3N4O2.C27H34F3N3O3.C26H30Cl2F3N3O2.C26H31ClF3N3O2.C26H32F3N3O2/c1-18-3-4-20(15-23(18)27(29,30)31)36-19-5-8-22(9-6-19)40-17-26(39)38-13-11-37(12-14-38)21-7-10-25(35-2)24(16-21)28(32,33)34;1-19-3-4-22(17-25(19)27(28,29)30)32-21-7-11-24(12-8-21)36-18-26(35)34-15-13-33(14-16-34)23-9-5-20(31-2)6-10-23;1-19-6-7-21(16-25(19)27(28,29)30)31-20-8-10-23(11-9-20)36-18-26(34)33-14-12-32(13-15-33)22-4-3-5-24(17-22)35-2;1-17-2-3-19(14-22(17)26(29,30)31)32-18-4-7-21(8-5-18)36-16-25(35)34-12-10-33(11-13-34)20-6-9-23(27)24(28)15-20;1-18-2-5-21(16-24(18)26(28,29)30)31-20-6-10-23(11-7-20)35-17-25(34)33-14-12-32(13-15-33)22-8-3-19(27)4-9-22;1-19-7-8-21(17-24(19)26(27,28)29)30-20-9-11-23(12-10-20)34-18-25(33)32-15-13-31(14-16-32)22-5-3-2-4-6-22/h3-4,7,10,15-16,19,22,36H,5-6,8-9,11-14,17H2,1H3;3-6,9-10,17,21,24,32H,7-8,11-16,18H2,1H3;3-7,16-17,20,23,31H,8-15,18H2,1-2H3;2-3,6,9,14-15,18,21,32H,4-5,7-8,10-13,16H2,1H3;2-5,8-9,16,20,23,31H,6-7,10-15,17H2,1H3;2-8,17,20,23,30H,9-16,18H2,1H3.

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

1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(4-isocyanophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-[4-isocyano-3-(trifluoromethyl)phenyl]piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone has a molecular weight of 3104.71 g/mol, XLogP of 34.70, 37 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(4-isocyanophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-[4-isocyano-3-(trifluoromethyl)phenyl]piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone is sourced from PubChem (CID 162216122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).