1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxyethanone;4-[[4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile;2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone;4-[[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile;3-[4-(3-methyl-4-nitroanilino)cyclohexyl]-1-(4-phenylpiperazin-1-yl)propan-1-one

C136H176Cl4N18O11 — CID 160912314

About 1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxyethanone;4-[[4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile;2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone;4-[[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile;3-[4-(3-methyl-4-nitroanilino)cyclohexyl]-1-(4-phenylpiperazin-1-yl)propan-1-one

1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxyethanone;4-[[4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile;2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone;4-[[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile;3-[4-(3-methyl-4-nitroanilino)cyclohexyl]-1-(4-phenylpiperazin-1-yl)propan-1-one (PubChem CID 160912314) has the molecular formula C136H176Cl4N18O11 and a molecular weight of 2380.83 g/mol. Its IUPAC name is 1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxyethanone;4-[[4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile;2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone;4-[[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile;3-[4-(3-methyl-4-nitroanilino)cyclohexyl]-1-(4-phenylpiperazin-1-yl)propan-1-one.

Molecular Properties

• Compound Name: 1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxyethanone;4-[[4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile;2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone;4-[[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile;3-[4-(3-methyl-4-nitroanilino)cyclohexyl]-1-(4-phenylpiperazin-1-yl)propan-1-one
• PubChem CID: 160912314
• Molecular Formula: C136H176Cl4N18O11
• Molecular Weight: 2380.83 g/mol
• Exact Mass: 2377.25
• IUPAC Name: 1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxyethanone;4-[[4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile;2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone;4-[[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile;3-[4-(3-methyl-4-nitroanilino)cyclohexyl]-1-(4-phenylpiperazin-1-yl)propan-1-one
• SMILES: Cc1cc(NC2CCC(CCC(=O)N3CCN(c4ccccc4)CC3)CC2)ccc1[N+](=O)[O-].Cc1cc(NC2CCC(OCC(=O)N3CCN(c4ccc(C(C)(C)C)cc4)CC3)CC2)ccc1C#N.Cc1cc(NC2CCC(OCC(=O)N3CCN(c4ccc(C(C)(C)C)cc4)CC3)CC2)ccc1Cl.Cc1cc(NC2CCC(OCC(=O)N3CCN(c4ccc(Cl)cc4)CC3)CC2)ccc1C#N.Cc1cc(NC2CCC(OCC(=O)N3CCN(c4ccc(Cl)cc4)CC3)CC2)ccc1Cl
• InChI: InChI=1S/C30H40N4O2.C29H40ClN3O2.C26H31ClN4O2.C26H34N4O3.C25H31Cl2N3O2/c1-22-19-26(8-5-23(22)20-31)32-25-9-13-28(14-10-25)36-21-29(35)34-17-15-33(16-18-34)27-11-6-24(7-12-27)30(2,3)4;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;1-19-16-23(5-2-20(19)17-28)29-22-6-10-25(11-7-22)33-18-26(32)31-14-12-30(13-15-31)24-8-3-21(27)4-9-24;1-20-19-23(12-13-25(20)30(32)33)27-22-10-7-21(8-11-22)9-14-26(31)29-17-15-28(16-18-29)24-5-3-2-4-6-24;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/h5-8,11-12,19,25,28,32H,9-10,13-18,21H2,1-4H3;5-6,9-11,14,19,23,26,31H,7-8,12-13,15-18,20H2,1-4H3;2-5,8-9,16,22,25,29H,6-7,10-15,18H2,1H3;2-6,12-13,19,21-22,27H,7-11,14-18H2,1H3;2-3,6-8,11,16,20,23,28H,4-5,9-10,12-15,17H2,1H3
• InChIKey: SQYLAAFPPNGXMZ-UHFFFAOYSA-N
• XLogP: 26.29
• TPSA: 305.54 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 23
• Rotatable Bonds: 31
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2380.83
LogP ≤ 5	26.29
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', '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;4-[[4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile;2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone;4-[[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile;3-[4-(3-methyl-4-nitroanilino)cyclohexyl]-1-(4-phenylpiperazin-1-yl)propan-1-one?

The IUPAC name of 1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxyethanone;4-[[4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile;2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone;4-[[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile;3-[4-(3-methyl-4-nitroanilino)cyclohexyl]-1-(4-phenylpiperazin-1-yl)propan-1-one (CID 160912314) is 1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxyethanone;4-[[4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile;2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone;4-[[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile;3-[4-(3-methyl-4-nitroanilino)cyclohexyl]-1-(4-phenylpiperazin-1-yl)propan-1-one.

What is the SMILES notation for 1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxyethanone;4-[[4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile;2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone;4-[[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile;3-[4-(3-methyl-4-nitroanilino)cyclohexyl]-1-(4-phenylpiperazin-1-yl)propan-1-one?

The canonical SMILES for 1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxyethanone;4-[[4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile;2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone;4-[[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile;3-[4-(3-methyl-4-nitroanilino)cyclohexyl]-1-(4-phenylpiperazin-1-yl)propan-1-one is Cc1cc(NC2CCC(CCC(=O)N3CCN(c4ccccc4)CC3)CC2)ccc1[N+](=O)[O-].Cc1cc(NC2CCC(OCC(=O)N3CCN(c4ccc(C(C)(C)C)cc4)CC3)CC2)ccc1C#N.Cc1cc(NC2CCC(OCC(=O)N3CCN(c4ccc(C(C)(C)C)cc4)CC3)CC2)ccc1Cl.Cc1cc(NC2CCC(OCC(=O)N3CCN(c4ccc(Cl)cc4)CC3)CC2)ccc1C#N.Cc1cc(NC2CCC(OCC(=O)N3CCN(c4ccc(Cl)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;4-[[4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile;2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone;4-[[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile;3-[4-(3-methyl-4-nitroanilino)cyclohexyl]-1-(4-phenylpiperazin-1-yl)propan-1-one?

The InChIKey is SQYLAAFPPNGXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N4O2.C29H40ClN3O2.C26H31ClN4O2.C26H34N4O3.C25H31Cl2N3O2/c1-22-19-26(8-5-23(22)20-31)32-25-9-13-28(14-10-25)36-21-29(35)34-17-15-33(16-18-34)27-11-6-24(7-12-27)30(2,3)4;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;1-19-16-23(5-2-20(19)17-28)29-22-6-10-25(11-7-22)33-18-26(32)31-14-12-30(13-15-31)24-8-3-21(27)4-9-24;1-20-19-23(12-13-25(20)30(32)33)27-22-10-7-21(8-11-22)9-14-26(31)29-17-15-28(16-18-29)24-5-3-2-4-6-24;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/h5-8,11-12,19,25,28,32H,9-10,13-18,21H2,1-4H3;5-6,9-11,14,19,23,26,31H,7-8,12-13,15-18,20H2,1-4H3;2-5,8-9,16,22,25,29H,6-7,10-15,18H2,1H3;2-6,12-13,19,21-22,27H,7-11,14-18H2,1H3;2-3,6-8,11,16,20,23,28H,4-5,9-10,12-15,17H2,1H3.

What are the key properties of 1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxyethanone;4-[[4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile;2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone;4-[[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile;3-[4-(3-methyl-4-nitroanilino)cyclohexyl]-1-(4-phenylpiperazin-1-yl)propan-1-one?

1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxyethanone;4-[[4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile;2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone;4-[[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile;3-[4-(3-methyl-4-nitroanilino)cyclohexyl]-1-(4-phenylpiperazin-1-yl)propan-1-one has a molecular weight of 2380.83 g/mol, XLogP of 26.29, 31 rotatable bonds, 5 hydrogen bond donors, and 23 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;4-[[4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile;2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone;4-[[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile;3-[4-(3-methyl-4-nitroanilino)cyclohexyl]-1-(4-phenylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 160912314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).