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-[4-(2,4-dimethylanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-(3,4-dimethylanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-methyl-5-[[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]cyclohexyl]amino]benzonitrile;5-methyl-2-[[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]cyclohexyl]amino]benzonitrile

C158H208N20O12 — CID 157182815

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-[4-(2,4-dimethylanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-(3,4-dimethylanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-methyl-5-[[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]cyclohexyl]amino]benzonitrile;5-methyl-2-[[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]cyclohexyl]amino]benzonitrile

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-[4-(2,4-dimethylanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-(3,4-dimethylanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-methyl-5-[[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]cyclohexyl]amino]benzonitrile;5-methyl-2-[[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]cyclohexyl]amino]benzonitrile (PubChem CID 157182815) has the molecular formula C158H208N20O12 and a molecular weight of 2579.53 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-[4-(2,4-dimethylanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-(3,4-dimethylanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-methyl-5-[[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]cyclohexyl]amino]benzonitrile;5-methyl-2-[[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]cyclohexyl]amino]benzonitrile.

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-[4-(2,4-dimethylanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-(3,4-dimethylanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-methyl-5-[[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]cyclohexyl]amino]benzonitrile;5-methyl-2-[[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]cyclohexyl]amino]benzonitrile
• PubChem CID: 157182815
• Molecular Formula: C158H208N20O12
• Molecular Weight: 2579.53 g/mol
• Exact Mass: 2577.63
• 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-[4-(2,4-dimethylanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-(3,4-dimethylanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-methyl-5-[[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]cyclohexyl]amino]benzonitrile;5-methyl-2-[[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]cyclohexyl]amino]benzonitrile
• SMILES: Cc1ccc(N2CCN(C(=O)COC3CCC(Nc4ccc(C)c(C)c4)CC3)CC2)cc1.Cc1ccc(N2CCN(C(=O)COC3CCC(Nc4ccc(C)cc4C)CC3)CC2)cc1.Cc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccccc4)CC3)CC2)c(C#N)c1.Cc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccccc4)CC3)CC2)c(C)c1.Cc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccccc4)CC3)CC2)cc1C.Cc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccccc4)CC3)CC2)cc1C#N
• InChI: InChI=1S/2C27H37N3O2.2C26H32N4O2.2C26H35N3O2/c1-20-4-9-24(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;1-20-7-12-25(21(17-20)18-27)28-22-8-10-24(11-9-22)32-19-26(31)30-15-13-29(14-16-30)23-5-3-2-4-6-23;1-20-7-8-23(17-21(20)18-27)28-22-9-11-25(12-10-22)32-19-26(31)30-15-13-29(14-16-30)24-5-3-2-4-6-24;1-20-8-13-25(21(2)18-20)27-22-9-11-24(12-10-22)31-19-26(30)29-16-14-28(15-17-29)23-6-4-3-5-7-23;1-20-8-9-23(18-21(20)2)27-22-10-12-25(13-11-22)31-19-26(30)29-16-14-28(15-17-29)24-6-4-3-5-7-24/h4-6,9-10,13,18,23,25,28H,7-8,11-12,14-17,19H2,1-3H3;4-7,10-11,18,23,26,28H,8-9,12-17,19H2,1-3H3;2-7,12,17,22,24,28H,8-11,13-16,19H2,1H3;2-8,17,22,25,28H,9-16,19H2,1H3;3-8,13,18,22,24,27H,9-12,14-17,19H2,1-2H3;3-9,18,22,25,27H,10-17,19H2,1-2H3
• InChIKey: AOTLITQXYYIZNO-UHFFFAOYSA-N
• XLogP: 26.09
• TPSA: 316.44 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 26
• Rotatable Bonds: 36
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2579.53
LogP ≤ 5	26.09
H-Bond Donors ≤ 5	6
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-[4-(2,4-dimethylanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-(3,4-dimethylanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-methyl-5-[[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]cyclohexyl]amino]benzonitrile;5-methyl-2-[[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]cyclohexyl]amino]benzonitrile?

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-[4-(2,4-dimethylanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-(3,4-dimethylanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-methyl-5-[[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]cyclohexyl]amino]benzonitrile;5-methyl-2-[[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]cyclohexyl]amino]benzonitrile (CID 157182815) 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-[4-(2,4-dimethylanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-(3,4-dimethylanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-methyl-5-[[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]cyclohexyl]amino]benzonitrile;5-methyl-2-[[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]cyclohexyl]amino]benzonitrile.

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-[4-(2,4-dimethylanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-(3,4-dimethylanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-methyl-5-[[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]cyclohexyl]amino]benzonitrile;5-methyl-2-[[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]cyclohexyl]amino]benzonitrile?

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-[4-(2,4-dimethylanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-(3,4-dimethylanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-methyl-5-[[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]cyclohexyl]amino]benzonitrile;5-methyl-2-[[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]cyclohexyl]amino]benzonitrile is Cc1ccc(N2CCN(C(=O)COC3CCC(Nc4ccc(C)c(C)c4)CC3)CC2)cc1.Cc1ccc(N2CCN(C(=O)COC3CCC(Nc4ccc(C)cc4C)CC3)CC2)cc1.Cc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccccc4)CC3)CC2)c(C#N)c1.Cc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccccc4)CC3)CC2)c(C)c1.Cc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccccc4)CC3)CC2)cc1C.Cc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccccc4)CC3)CC2)cc1C#N.

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-[4-(2,4-dimethylanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-(3,4-dimethylanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-methyl-5-[[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]cyclohexyl]amino]benzonitrile;5-methyl-2-[[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]cyclohexyl]amino]benzonitrile?

The InChIKey is AOTLITQXYYIZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H37N3O2.2C26H32N4O2.2C26H35N3O2/c1-20-4-9-24(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;1-20-7-12-25(21(17-20)18-27)28-22-8-10-24(11-9-22)32-19-26(31)30-15-13-29(14-16-30)23-5-3-2-4-6-23;1-20-7-8-23(17-21(20)18-27)28-22-9-11-25(12-10-22)32-19-26(31)30-15-13-29(14-16-30)24-5-3-2-4-6-24;1-20-8-13-25(21(2)18-20)27-22-9-11-24(12-10-22)31-19-26(30)29-16-14-28(15-17-29)23-6-4-3-5-7-23;1-20-8-9-23(18-21(20)2)27-22-10-12-25(13-11-22)31-19-26(30)29-16-14-28(15-17-29)24-6-4-3-5-7-24/h4-6,9-10,13,18,23,25,28H,7-8,11-12,14-17,19H2,1-3H3;4-7,10-11,18,23,26,28H,8-9,12-17,19H2,1-3H3;2-7,12,17,22,24,28H,8-11,13-16,19H2,1H3;2-8,17,22,25,28H,9-16,19H2,1H3;3-8,13,18,22,24,27H,9-12,14-17,19H2,1-2H3;3-9,18,22,25,27H,10-17,19H2,1-2H3.

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-[4-(2,4-dimethylanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-(3,4-dimethylanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-methyl-5-[[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]cyclohexyl]amino]benzonitrile;5-methyl-2-[[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]cyclohexyl]amino]benzonitrile?

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-[4-(2,4-dimethylanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-(3,4-dimethylanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-methyl-5-[[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]cyclohexyl]amino]benzonitrile;5-methyl-2-[[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]cyclohexyl]amino]benzonitrile has a molecular weight of 2579.53 g/mol, XLogP of 26.09, 36 rotatable bonds, 6 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-[4-(2,4-dimethylanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-(3,4-dimethylanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-methyl-5-[[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]cyclohexyl]amino]benzonitrile;5-methyl-2-[[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]cyclohexyl]amino]benzonitrile is sourced from PubChem (CID 157182815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).