bis(1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-[4-methoxy-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone);1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[4-methoxy-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;bis(2-[4-[4-methoxy-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone)

C140H179ClF15N15O15 — CID 161085662

About bis(1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-[4-methoxy-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone);1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[4-methoxy-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;bis(2-[4-[4-methoxy-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone)

bis(1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-[4-methoxy-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone);1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[4-methoxy-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;bis(2-[4-[4-methoxy-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone) (PubChem CID 161085662) has the molecular formula C140H179ClF15N15O15 and a molecular weight of 2632.48 g/mol. Its IUPAC name is bis(1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-[4-methoxy-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone);1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[4-methoxy-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;bis(2-[4-[4-methoxy-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone).

Molecular Properties

• Compound Name: bis(1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-[4-methoxy-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone);1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[4-methoxy-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;bis(2-[4-[4-methoxy-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone)
• PubChem CID: 161085662
• Molecular Formula: C140H179ClF15N15O15
• Molecular Weight: 2632.48 g/mol
• Exact Mass: 2630.32
• IUPAC Name: bis(1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-[4-methoxy-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone);1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[4-methoxy-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;bis(2-[4-[4-methoxy-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone)
• SMILES: COc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccc(C(C)(C)C)cc4)CC3)CC2)cc1C(F)(F)F.COc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccc(C(C)(C)C)cc4)CC3)CC2)cc1C(F)(F)F.COc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccc(C)cc4)CC3)CC2)cc1C(F)(F)F.COc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccc(C)cc4)CC3)CC2)cc1C(F)(F)F.COc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccc(Cl)cc4)CC3)CC2)cc1C(F)(F)F
• InChI: InChI=1S/2C30H40F3N3O3.2C27H34F3N3O3.C26H31ClF3N3O3/c2*1-29(2,3)21-5-10-24(11-6-21)35-15-17-36(18-16-35)28(37)20-39-25-12-7-22(8-13-25)34-23-9-14-27(38-4)26(19-23)30(31,32)33;2*1-19-3-8-22(9-4-19)32-13-15-33(16-14-32)26(34)18-36-23-10-5-20(6-11-23)31-21-7-12-25(35-2)24(17-21)27(28,29)30;1-35-24-11-6-20(16-23(24)26(28,29)30)31-19-4-9-22(10-5-19)36-17-25(34)33-14-12-32(13-15-33)21-7-2-18(27)3-8-21/h2*5-6,9-11,14,19,22,25,34H,7-8,12-13,15-18,20H2,1-4H3;2*3-4,7-9,12,17,20,23,31H,5-6,10-11,13-16,18H2,1-2H3;2-3,6-8,11,16,19,22,31H,4-5,9-10,12-15,17H2,1H3
• InChIKey: UGLZBRAPRGDCTN-UHFFFAOYSA-N
• XLogP: 27.88
• TPSA: 270.20 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 35
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2632.48
LogP ≤ 5	27.88
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

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 bis(1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-[4-methoxy-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone);1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[4-methoxy-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;bis(2-[4-[4-methoxy-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone)?

The IUPAC name of bis(1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-[4-methoxy-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone);1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[4-methoxy-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;bis(2-[4-[4-methoxy-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone) (CID 161085662) is bis(1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-[4-methoxy-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone);1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[4-methoxy-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;bis(2-[4-[4-methoxy-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone).

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

The canonical SMILES for bis(1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-[4-methoxy-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone);1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[4-methoxy-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;bis(2-[4-[4-methoxy-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone) is COc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccc(C(C)(C)C)cc4)CC3)CC2)cc1C(F)(F)F.COc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccc(C(C)(C)C)cc4)CC3)CC2)cc1C(F)(F)F.COc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccc(C)cc4)CC3)CC2)cc1C(F)(F)F.COc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccc(C)cc4)CC3)CC2)cc1C(F)(F)F.COc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccc(Cl)cc4)CC3)CC2)cc1C(F)(F)F.

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

The InChIKey is UGLZBRAPRGDCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C30H40F3N3O3.2C27H34F3N3O3.C26H31ClF3N3O3/c2*1-29(2,3)21-5-10-24(11-6-21)35-15-17-36(18-16-35)28(37)20-39-25-12-7-22(8-13-25)34-23-9-14-27(38-4)26(19-23)30(31,32)33;2*1-19-3-8-22(9-4-19)32-13-15-33(16-14-32)26(34)18-36-23-10-5-20(6-11-23)31-21-7-12-25(35-2)24(17-21)27(28,29)30;1-35-24-11-6-20(16-23(24)26(28,29)30)31-19-4-9-22(10-5-19)36-17-25(34)33-14-12-32(13-15-33)21-7-2-18(27)3-8-21/h2*5-6,9-11,14,19,22,25,34H,7-8,12-13,15-18,20H2,1-4H3;2*3-4,7-9,12,17,20,23,31H,5-6,10-11,13-16,18H2,1-2H3;2-3,6-8,11,16,19,22,31H,4-5,9-10,12-15,17H2,1H3.

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

bis(1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-[4-methoxy-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone);1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[4-methoxy-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;bis(2-[4-[4-methoxy-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone) has a molecular weight of 2632.48 g/mol, XLogP of 27.88, 35 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-[4-methoxy-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone);1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[4-methoxy-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;bis(2-[4-[4-methoxy-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone) is sourced from PubChem (CID 161085662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).