2-[4-(2,4-dimethylanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;2-[4-(3,4-dimethylanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;2-methyl-5-[[4-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]benzonitrile;5-methyl-2-[[4-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]benzonitrile;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-2-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)phenoxy]cyclohexyl]oxyethanone

C162H209F6N19O13 — CID 157085086

About 2-[4-(2,4-dimethylanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;2-[4-(3,4-dimethylanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;2-methyl-5-[[4-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]benzonitrile;5-methyl-2-[[4-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]benzonitrile;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-2-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)phenoxy]cyclohexyl]oxyethanone

2-[4-(2,4-dimethylanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;2-[4-(3,4-dimethylanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;2-methyl-5-[[4-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]benzonitrile;5-methyl-2-[[4-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]benzonitrile;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-2-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)phenoxy]cyclohexyl]oxyethanone (PubChem CID 157085086) has the molecular formula C162H209F6N19O13 and a molecular weight of 2744.56 g/mol. Its IUPAC name is 2-[4-(2,4-dimethylanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;2-[4-(3,4-dimethylanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;2-methyl-5-[[4-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]benzonitrile;5-methyl-2-[[4-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]benzonitrile;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-2-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)phenoxy]cyclohexyl]oxyethanone.

Molecular Properties

• Compound Name: 2-[4-(2,4-dimethylanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;2-[4-(3,4-dimethylanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;2-methyl-5-[[4-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]benzonitrile;5-methyl-2-[[4-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]benzonitrile;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-2-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)phenoxy]cyclohexyl]oxyethanone
• PubChem CID: 157085086
• Molecular Formula: C162H209F6N19O13
• Molecular Weight: 2744.56 g/mol
• Exact Mass: 2742.62
• IUPAC Name: 2-[4-(2,4-dimethylanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;2-[4-(3,4-dimethylanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;2-methyl-5-[[4-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]benzonitrile;5-methyl-2-[[4-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]benzonitrile;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-2-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)phenoxy]cyclohexyl]oxyethanone
• SMILES: Cc1ccc(N2CCN(C(=O)COC3CCC(Nc4ccc(C)c(C#N)c4)CC3)CC2)cc1.Cc1ccc(N2CCN(C(=O)COC3CCC(Nc4ccc(C)c(C)c4)CC3)CC2)cc1.Cc1ccc(N2CCN(C(=O)COC3CCC(Nc4ccc(C)cc4C#N)CC3)CC2)cc1.Cc1ccc(N2CCN(C(=O)COC3CCC(Nc4ccc(C)cc4C(F)(F)F)CC3)CC2)cc1.Cc1ccc(N2CCN(C(=O)COC3CCC(Nc4ccc(C)cc4C)CC3)CC2)cc1.Cc1ccc(N2CCN(C(=O)COC3CCC(Oc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1
• InChI: InChI=1S/C27H34F3N3O2.C27H33F3N2O3.2C27H34N4O2.2C27H37N3O2/c1-19-3-8-22(9-4-19)32-13-15-33(16-14-32)26(34)18-35-23-10-6-21(7-11-23)31-25-12-5-20(2)17-24(25)27(28,29)30;1-19-3-6-21(7-4-19)31-13-15-32(16-14-31)26(33)18-34-22-9-11-23(12-10-22)35-24-8-5-20(2)25(17-24)27(28,29)30;1-20-3-8-24(9-4-20)30-13-15-31(16-14-30)27(32)19-33-25-10-6-23(7-11-25)29-26-12-5-21(2)17-22(26)18-28;1-20-3-9-25(10-4-20)30-13-15-31(16-14-30)27(32)19-33-26-11-7-23(8-12-26)29-24-6-5-21(2)22(17-24)18-28;1-20-4-9-24(10-5-20)29-14-16-30(17-15-29)27(31)19-32-25-11-7-23(8-12-25)28-26-13-6-21(2)18-22(26)3;1-20-4-10-25(11-5-20)29-14-16-30(17-15-29)27(31)19-32-26-12-8-23(9-13-26)28-24-7-6-21(2)22(3)18-24/h3-5,8-9,12,17,21,23,31H,6-7,10-11,13-16,18H2,1-2H3;3-8,17,22-23H,9-16,18H2,1-2H3;3-5,8-9,12,17,23,25,29H,6-7,10-11,13-16,19H2,1-2H3;3-6,9-10,17,23,26,29H,7-8,11-16,19H2,1-2H3;4-6,9-10,13,18,23,25,28H,7-8,11-12,14-17,19H2,1-3H3;4-7,10-11,18,23,26,28H,8-9,12-17,19H2,1-3H3
• InChIKey: ADZOBMHKSDXGSZ-UHFFFAOYSA-N
• XLogP: 28.72
• TPSA: 313.64 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 26
• Rotatable Bonds: 36
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2744.56
LogP ≤ 5	28.72
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-dimethylanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;2-[4-(3,4-dimethylanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;2-methyl-5-[[4-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]benzonitrile;5-methyl-2-[[4-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]benzonitrile;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-2-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)phenoxy]cyclohexyl]oxyethanone?

The IUPAC name of 2-[4-(2,4-dimethylanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;2-[4-(3,4-dimethylanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;2-methyl-5-[[4-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]benzonitrile;5-methyl-2-[[4-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]benzonitrile;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-2-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)phenoxy]cyclohexyl]oxyethanone (CID 157085086) is 2-[4-(2,4-dimethylanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;2-[4-(3,4-dimethylanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;2-methyl-5-[[4-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]benzonitrile;5-methyl-2-[[4-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]benzonitrile;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-2-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)phenoxy]cyclohexyl]oxyethanone.

What is the SMILES notation for 2-[4-(2,4-dimethylanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;2-[4-(3,4-dimethylanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;2-methyl-5-[[4-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]benzonitrile;5-methyl-2-[[4-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]benzonitrile;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-2-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)phenoxy]cyclohexyl]oxyethanone?

The canonical SMILES for 2-[4-(2,4-dimethylanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;2-[4-(3,4-dimethylanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;2-methyl-5-[[4-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]benzonitrile;5-methyl-2-[[4-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]benzonitrile;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-2-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)phenoxy]cyclohexyl]oxyethanone is Cc1ccc(N2CCN(C(=O)COC3CCC(Nc4ccc(C)c(C#N)c4)CC3)CC2)cc1.Cc1ccc(N2CCN(C(=O)COC3CCC(Nc4ccc(C)c(C)c4)CC3)CC2)cc1.Cc1ccc(N2CCN(C(=O)COC3CCC(Nc4ccc(C)cc4C#N)CC3)CC2)cc1.Cc1ccc(N2CCN(C(=O)COC3CCC(Nc4ccc(C)cc4C(F)(F)F)CC3)CC2)cc1.Cc1ccc(N2CCN(C(=O)COC3CCC(Nc4ccc(C)cc4C)CC3)CC2)cc1.Cc1ccc(N2CCN(C(=O)COC3CCC(Oc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1.

What is the InChIKey of 2-[4-(2,4-dimethylanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;2-[4-(3,4-dimethylanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;2-methyl-5-[[4-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]benzonitrile;5-methyl-2-[[4-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]benzonitrile;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-2-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)phenoxy]cyclohexyl]oxyethanone?

The InChIKey is ADZOBMHKSDXGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34F3N3O2.C27H33F3N2O3.2C27H34N4O2.2C27H37N3O2/c1-19-3-8-22(9-4-19)32-13-15-33(16-14-32)26(34)18-35-23-10-6-21(7-11-23)31-25-12-5-20(2)17-24(25)27(28,29)30;1-19-3-6-21(7-4-19)31-13-15-32(16-14-31)26(33)18-34-22-9-11-23(12-10-22)35-24-8-5-20(2)25(17-24)27(28,29)30;1-20-3-8-24(9-4-20)30-13-15-31(16-14-30)27(32)19-33-25-10-6-23(7-11-25)29-26-12-5-21(2)17-22(26)18-28;1-20-3-9-25(10-4-20)30-13-15-31(16-14-30)27(32)19-33-26-11-7-23(8-12-26)29-24-6-5-21(2)22(17-24)18-28;1-20-4-9-24(10-5-20)29-14-16-30(17-15-29)27(31)19-32-25-11-7-23(8-12-25)28-26-13-6-21(2)18-22(26)3;1-20-4-10-25(11-5-20)29-14-16-30(17-15-29)27(31)19-32-26-12-8-23(9-13-26)28-24-7-6-21(2)22(3)18-24/h3-5,8-9,12,17,21,23,31H,6-7,10-11,13-16,18H2,1-2H3;3-8,17,22-23H,9-16,18H2,1-2H3;3-5,8-9,12,17,23,25,29H,6-7,10-11,13-16,19H2,1-2H3;3-6,9-10,17,23,26,29H,7-8,11-16,19H2,1-2H3;4-6,9-10,13,18,23,25,28H,7-8,11-12,14-17,19H2,1-3H3;4-7,10-11,18,23,26,28H,8-9,12-17,19H2,1-3H3.

What are the key properties of 2-[4-(2,4-dimethylanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;2-[4-(3,4-dimethylanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;2-methyl-5-[[4-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]benzonitrile;5-methyl-2-[[4-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]benzonitrile;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-2-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)phenoxy]cyclohexyl]oxyethanone?

2-[4-(2,4-dimethylanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;2-[4-(3,4-dimethylanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;2-methyl-5-[[4-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]benzonitrile;5-methyl-2-[[4-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]benzonitrile;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-2-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)phenoxy]cyclohexyl]oxyethanone has a molecular weight of 2744.56 g/mol, XLogP of 28.72, 36 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(2,4-dimethylanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;2-[4-(3,4-dimethylanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;2-methyl-5-[[4-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]benzonitrile;5-methyl-2-[[4-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]benzonitrile;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-2-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)phenoxy]cyclohexyl]oxyethanone is sourced from PubChem (CID 157085086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).