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-[4-(3-methoxy-4-methylanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;2-[4-(3-methoxy-4-methylanilino)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

C157H206N20O14 — CID 158274806

About 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-[4-(3-methoxy-4-methylanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;2-[4-(3-methoxy-4-methylanilino)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-phenylpiperazin-1-yl)ethanone;2-[4-(3,4-dimethylanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-(3-methoxy-4-methylanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;2-[4-(3-methoxy-4-methylanilino)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 158274806) has the molecular formula C157H206N20O14 and a molecular weight of 2597.50 g/mol. Its IUPAC name is 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-[4-(3-methoxy-4-methylanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;2-[4-(3-methoxy-4-methylanilino)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-phenylpiperazin-1-yl)ethanone;2-[4-(3,4-dimethylanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-(3-methoxy-4-methylanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;2-[4-(3-methoxy-4-methylanilino)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: 158274806
• Molecular Formula: C157H206N20O14
• Molecular Weight: 2597.50 g/mol
• Exact Mass: 2595.60
• IUPAC Name: 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-[4-(3-methoxy-4-methylanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;2-[4-(3-methoxy-4-methylanilino)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: COc1cc(NC2CCC(OCC(=O)N3CCN(c4ccc(C)cc4)CC3)CC2)ccc1C.COc1cc(NC2CCC(OCC(=O)N3CCN(c4ccccc4)CC3)CC2)ccc1C.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/C27H37N3O3.2C26H32N4O2.C26H35N3O3.2C26H35N3O2/c1-20-4-10-24(11-5-20)29-14-16-30(17-15-29)27(31)19-33-25-12-8-22(9-13-25)28-23-7-6-21(2)26(18-23)32-3;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;1-20-8-9-22(18-25(20)31-2)27-21-10-12-24(13-11-21)32-19-26(30)29-16-14-28(15-17-29)23-6-4-3-5-7-23;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/h4-7,10-11,18,22,25,28H,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;3-9,18,21,24,27H,10-17,19H2,1-2H3;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: GJMBRJMKGYBVLU-UHFFFAOYSA-N
• XLogP: 25.19
• TPSA: 334.90 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 28
• Rotatable Bonds: 38
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2597.50
LogP ≤ 5	25.19
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	28

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-phenylpiperazin-1-yl)ethanone;2-[4-(3,4-dimethylanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-(3-methoxy-4-methylanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;2-[4-(3-methoxy-4-methylanilino)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-phenylpiperazin-1-yl)ethanone;2-[4-(3,4-dimethylanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-(3-methoxy-4-methylanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;2-[4-(3-methoxy-4-methylanilino)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 158274806) is 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-[4-(3-methoxy-4-methylanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;2-[4-(3-methoxy-4-methylanilino)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-phenylpiperazin-1-yl)ethanone;2-[4-(3,4-dimethylanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-(3-methoxy-4-methylanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;2-[4-(3-methoxy-4-methylanilino)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-phenylpiperazin-1-yl)ethanone;2-[4-(3,4-dimethylanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-(3-methoxy-4-methylanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;2-[4-(3-methoxy-4-methylanilino)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 COc1cc(NC2CCC(OCC(=O)N3CCN(c4ccc(C)cc4)CC3)CC2)ccc1C.COc1cc(NC2CCC(OCC(=O)N3CCN(c4ccccc4)CC3)CC2)ccc1C.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-phenylpiperazin-1-yl)ethanone;2-[4-(3,4-dimethylanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-(3-methoxy-4-methylanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;2-[4-(3-methoxy-4-methylanilino)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 GJMBRJMKGYBVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N3O3.2C26H32N4O2.C26H35N3O3.2C26H35N3O2/c1-20-4-10-24(11-5-20)29-14-16-30(17-15-29)27(31)19-33-25-12-8-22(9-13-25)28-23-7-6-21(2)26(18-23)32-3;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;1-20-8-9-22(18-25(20)31-2)27-21-10-12-24(13-11-21)32-19-26(30)29-16-14-28(15-17-29)23-6-4-3-5-7-23;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/h4-7,10-11,18,22,25,28H,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;3-9,18,21,24,27H,10-17,19H2,1-2H3;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-phenylpiperazin-1-yl)ethanone;2-[4-(3,4-dimethylanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-(3-methoxy-4-methylanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;2-[4-(3-methoxy-4-methylanilino)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-phenylpiperazin-1-yl)ethanone;2-[4-(3,4-dimethylanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-(3-methoxy-4-methylanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;2-[4-(3-methoxy-4-methylanilino)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 2597.50 g/mol, XLogP of 25.19, 38 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 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-[4-(3-methoxy-4-methylanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;2-[4-(3-methoxy-4-methylanilino)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 158274806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).