1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxyethanone;2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone;bis(1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxyethanone);1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxyethanone;2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxy-1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethanone

C166H205Cl5F12N18O17 — CID 157163808

About 1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxyethanone;2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone;bis(1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxyethanone);1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxyethanone;2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxy-1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethanone

1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxyethanone;2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone;bis(1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxyethanone);1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxyethanone;2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxy-1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethanone (PubChem CID 157163808) has the molecular formula C166H205Cl5F12N18O17 and a molecular weight of 3129.82 g/mol. Its IUPAC name is 1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxyethanone;2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone;bis(1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxyethanone);1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxyethanone;2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxy-1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxyethanone;2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone;bis(1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxyethanone);1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxyethanone;2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxy-1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethanone
• PubChem CID: 157163808
• Molecular Formula: C166H205Cl5F12N18O17
• Molecular Weight: 3129.82 g/mol
• Exact Mass: 3125.40
• IUPAC Name: 1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxyethanone;2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone;bis(1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxyethanone);1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxyethanone;2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxy-1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethanone
• SMILES: Cc1cc(NC2CCC(OCC(=O)N3CCN(c4ccc(C(C)(C)C)cc4)CC3)CC2)ccc1Cl.Cc1cc(NC2CCC(OCC(=O)N3CCN(c4ccc(Cl)cc4)CC3)CC2)ccc1Cl.Cc1cc(NC2CCC(OCC(=O)N3CCN(c4ccc(Cl)cc4)CC3)CC2)ccc1OC(F)(F)F.Cc1cc(NC2CCC(OCC(=O)N3CCN(c4ccc(Cl)cc4)CC3)CC2)ccc1OC(F)(F)F.Cc1cc(NC2CCC(OCC(=O)N3CCN(c4ccc(OCc5ccccc5)cc4)CC3)CC2)ccc1OC(F)(F)F.Cc1ccc(N2CCN(C(=O)COC3CCC(Nc4ccc(OC(F)(F)F)c(C)c4)CC3)CC2)cc1
• InChI: InChI=1S/C33H38F3N3O4.C29H40ClN3O2.C27H34F3N3O3.2C26H31ClF3N3O3.C25H31Cl2N3O2/c1-24-21-27(9-16-31(24)43-33(34,35)36)37-26-7-12-29(13-8-26)42-23-32(40)39-19-17-38(18-20-39)28-10-14-30(15-11-28)41-22-25-5-3-2-4-6-25;1-21-19-24(9-14-27(21)30)31-23-7-12-26(13-8-23)35-20-28(34)33-17-15-32(16-18-33)25-10-5-22(6-11-25)29(2,3)4;1-19-3-8-23(9-4-19)32-13-15-33(16-14-32)26(34)18-35-24-10-5-21(6-11-24)31-22-7-12-25(20(2)17-22)36-27(28,29)30;2*1-18-16-21(6-11-24(18)36-26(28,29)30)31-20-4-9-23(10-5-20)35-17-25(34)33-14-12-32(13-15-33)22-7-2-19(27)3-8-22;1-18-16-21(6-11-24(18)27)28-20-4-9-23(10-5-20)32-17-25(31)30-14-12-29(13-15-30)22-7-2-19(26)3-8-22/h2-6,9-11,14-16,21,26,29,37H,7-8,12-13,17-20,22-23H2,1H3;5-6,9-11,14,19,23,26,31H,7-8,12-13,15-18,20H2,1-4H3;3-4,7-9,12,17,21,24,31H,5-6,10-11,13-16,18H2,1-2H3;2*2-3,6-8,11,16,20,23,31H,4-5,9-10,12-15,17H2,1H3;2-3,6-8,11,16,20,23,28H,4-5,9-10,12-15,17H2,1H3
• InChIKey: AMRGRIQBGLLOLG-UHFFFAOYSA-N
• XLogP: 34.55
• TPSA: 315.01 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 29
• Rotatable Bonds: 43
• Heavy Atoms: 218
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3129.82
LogP ≤ 5	34.55
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	29

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'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxyethanone;2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone;bis(1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxyethanone);1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxyethanone;2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxy-1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethanone?

The IUPAC name of 1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxyethanone;2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone;bis(1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxyethanone);1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxyethanone;2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxy-1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethanone (CID 157163808) is 1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxyethanone;2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone;bis(1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxyethanone);1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxyethanone;2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxy-1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethanone.

What is the SMILES notation for 1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxyethanone;2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone;bis(1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxyethanone);1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxyethanone;2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxy-1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethanone?

The canonical SMILES for 1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxyethanone;2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone;bis(1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxyethanone);1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxyethanone;2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxy-1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethanone is Cc1cc(NC2CCC(OCC(=O)N3CCN(c4ccc(C(C)(C)C)cc4)CC3)CC2)ccc1Cl.Cc1cc(NC2CCC(OCC(=O)N3CCN(c4ccc(Cl)cc4)CC3)CC2)ccc1Cl.Cc1cc(NC2CCC(OCC(=O)N3CCN(c4ccc(Cl)cc4)CC3)CC2)ccc1OC(F)(F)F.Cc1cc(NC2CCC(OCC(=O)N3CCN(c4ccc(Cl)cc4)CC3)CC2)ccc1OC(F)(F)F.Cc1cc(NC2CCC(OCC(=O)N3CCN(c4ccc(OCc5ccccc5)cc4)CC3)CC2)ccc1OC(F)(F)F.Cc1ccc(N2CCN(C(=O)COC3CCC(Nc4ccc(OC(F)(F)F)c(C)c4)CC3)CC2)cc1.

What is the InChIKey of 1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxyethanone;2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone;bis(1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxyethanone);1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxyethanone;2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxy-1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethanone?

The InChIKey is AMRGRIQBGLLOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38F3N3O4.C29H40ClN3O2.C27H34F3N3O3.2C26H31ClF3N3O3.C25H31Cl2N3O2/c1-24-21-27(9-16-31(24)43-33(34,35)36)37-26-7-12-29(13-8-26)42-23-32(40)39-19-17-38(18-20-39)28-10-14-30(15-11-28)41-22-25-5-3-2-4-6-25;1-21-19-24(9-14-27(21)30)31-23-7-12-26(13-8-23)35-20-28(34)33-17-15-32(16-18-33)25-10-5-22(6-11-25)29(2,3)4;1-19-3-8-23(9-4-19)32-13-15-33(16-14-32)26(34)18-35-24-10-5-21(6-11-24)31-22-7-12-25(20(2)17-22)36-27(28,29)30;2*1-18-16-21(6-11-24(18)36-26(28,29)30)31-20-4-9-23(10-5-20)35-17-25(34)33-14-12-32(13-15-33)22-7-2-19(27)3-8-22;1-18-16-21(6-11-24(18)27)28-20-4-9-23(10-5-20)32-17-25(31)30-14-12-29(13-15-30)22-7-2-19(26)3-8-22/h2-6,9-11,14-16,21,26,29,37H,7-8,12-13,17-20,22-23H2,1H3;5-6,9-11,14,19,23,26,31H,7-8,12-13,15-18,20H2,1-4H3;3-4,7-9,12,17,21,24,31H,5-6,10-11,13-16,18H2,1-2H3;2*2-3,6-8,11,16,20,23,31H,4-5,9-10,12-15,17H2,1H3;2-3,6-8,11,16,20,23,28H,4-5,9-10,12-15,17H2,1H3.

What are the key properties of 1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxyethanone;2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone;bis(1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxyethanone);1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxyethanone;2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxy-1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethanone?

1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxyethanone;2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone;bis(1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxyethanone);1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxyethanone;2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxy-1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethanone has a molecular weight of 3129.82 g/mol, XLogP of 34.55, 43 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxyethanone;2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone;bis(1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxyethanone);1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxyethanone;2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxy-1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 157163808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).