1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxyethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone;2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone;2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone;1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone

C166H217Cl5N18O14S3 — CID 159606588

About 1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxyethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone;2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone;2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone;1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone

1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxyethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone;2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone;2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone;1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone (PubChem CID 159606588) has the molecular formula C166H217Cl5N18O14S3 and a molecular weight of 2962.14 g/mol. Its IUPAC name is 1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxyethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone;2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone;2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone;1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone.

Molecular Properties

• Compound Name: 1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxyethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone;2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone;2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone;1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone
• PubChem CID: 159606588
• Molecular Formula: C166H217Cl5N18O14S3
• Molecular Weight: 2962.14 g/mol
• Exact Mass: 2957.44
• IUPAC Name: 1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxyethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone;2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone;2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone;1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone
• SMILES: COc1ccc(N2CCN(C(=O)COC3CCC(Nc4ccc(SC)cc4)CC3)CC2)cc1.CSc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccc(C(C)(C)C)cc4)CC3)CC2)cc1.CSc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccc(Cl)cc4)CC3)CC2)cc1.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(OCc5ccccc5)cc4)CC3)CC2)ccc1Cl
• InChI: InChI=1S/C32H38ClN3O3.C29H40ClN3O2.C29H41N3O2S.C26H35N3O3S.C25H31Cl2N3O2.C25H32ClN3O2S/c1-24-21-27(9-16-31(24)33)34-26-7-12-29(13-8-26)39-23-32(37)36-19-17-35(18-20-36)28-10-14-30(15-11-28)38-22-25-5-3-2-4-6-25;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;1-29(2,3)22-5-11-25(12-6-22)31-17-19-32(20-18-31)28(33)21-34-26-13-7-23(8-14-26)30-24-9-15-27(35-4)16-10-24;1-31-23-11-7-22(8-12-23)28-15-17-29(18-16-28)26(30)19-32-24-9-3-20(4-10-24)27-21-5-13-25(33-2)14-6-21;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;1-32-24-12-6-21(7-13-24)27-20-4-10-23(11-5-20)31-18-25(30)29-16-14-28(15-17-29)22-8-2-19(26)3-9-22/h2-6,9-11,14-16,21,26,29,34H,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;5-6,9-12,15-16,23,26,30H,7-8,13-14,17-21H2,1-4H3;5-8,11-14,20,24,27H,3-4,9-10,15-19H2,1-2H3;2-3,6-8,11,16,20,23,28H,4-5,9-10,12-15,17H2,1H3;2-3,6-9,12-13,20,23,27H,4-5,10-11,14-18H2,1H3
• InChIKey: MMDRMLGXGWQSOQ-UHFFFAOYSA-N
• XLogP: 33.19
• TPSA: 287.32 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 29
• Rotatable Bonds: 43
• Heavy Atoms: 206
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2962.14
LogP ≤ 5	33.19
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'}

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;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone;2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone;2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone;1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone?

The IUPAC name of 1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxyethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone;2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone;2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone;1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone (CID 159606588) is 1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxyethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone;2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone;2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone;1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone.

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

The canonical SMILES for 1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxyethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone;2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone;2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone;1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone is COc1ccc(N2CCN(C(=O)COC3CCC(Nc4ccc(SC)cc4)CC3)CC2)cc1.CSc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccc(C(C)(C)C)cc4)CC3)CC2)cc1.CSc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccc(Cl)cc4)CC3)CC2)cc1.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(OCc5ccccc5)cc4)CC3)CC2)ccc1Cl.

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

The InChIKey is MMDRMLGXGWQSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38ClN3O3.C29H40ClN3O2.C29H41N3O2S.C26H35N3O3S.C25H31Cl2N3O2.C25H32ClN3O2S/c1-24-21-27(9-16-31(24)33)34-26-7-12-29(13-8-26)39-23-32(37)36-19-17-35(18-20-36)28-10-14-30(15-11-28)38-22-25-5-3-2-4-6-25;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;1-29(2,3)22-5-11-25(12-6-22)31-17-19-32(20-18-31)28(33)21-34-26-13-7-23(8-14-26)30-24-9-15-27(35-4)16-10-24;1-31-23-11-7-22(8-12-23)28-15-17-29(18-16-28)26(30)19-32-24-9-3-20(4-10-24)27-21-5-13-25(33-2)14-6-21;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;1-32-24-12-6-21(7-13-24)27-20-4-10-23(11-5-20)31-18-25(30)29-16-14-28(15-17-29)22-8-2-19(26)3-9-22/h2-6,9-11,14-16,21,26,29,34H,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;5-6,9-12,15-16,23,26,30H,7-8,13-14,17-21H2,1-4H3;5-8,11-14,20,24,27H,3-4,9-10,15-19H2,1-2H3;2-3,6-8,11,16,20,23,28H,4-5,9-10,12-15,17H2,1H3;2-3,6-9,12-13,20,23,27H,4-5,10-11,14-18H2,1H3.

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

1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxyethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone;2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone;2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone;1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone has a molecular weight of 2962.14 g/mol, XLogP of 33.19, 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;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone;2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone;2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone;1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone is sourced from PubChem (CID 159606588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).