1-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[2,5-dimethyl-4-(4-methylphenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;2-[4-(N,3-dimethyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]propan-1-one;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-[4-(2-methylpropoxy)phenyl]piperazin-1-yl]ethanone

C138H186N20O23 — CID 157060049

About 1-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[2,5-dimethyl-4-(4-methylphenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;2-[4-(N,3-dimethyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]propan-1-one;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-[4-(2-methylpropoxy)phenyl]piperazin-1-yl]ethanone

1-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[2,5-dimethyl-4-(4-methylphenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;2-[4-(N,3-dimethyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]propan-1-one;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-[4-(2-methylpropoxy)phenyl]piperazin-1-yl]ethanone (PubChem CID 157060049) has the molecular formula C138H186N20O23 and a molecular weight of 2493.12 g/mol. Its IUPAC name is 1-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[2,5-dimethyl-4-(4-methylphenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;2-[4-(N,3-dimethyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]propan-1-one;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-[4-(2-methylpropoxy)phenyl]piperazin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[2,5-dimethyl-4-(4-methylphenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;2-[4-(N,3-dimethyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]propan-1-one;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-[4-(2-methylpropoxy)phenyl]piperazin-1-yl]ethanone
• PubChem CID: 157060049
• Molecular Formula: C138H186N20O23
• Molecular Weight: 2493.12 g/mol
• Exact Mass: 2491.40
• IUPAC Name: 1-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[2,5-dimethyl-4-(4-methylphenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;2-[4-(N,3-dimethyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]propan-1-one;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-[4-(2-methylpropoxy)phenyl]piperazin-1-yl]ethanone
• SMILES: COc1ccc(N2CCN(C(=O)COC3CCC(Nc4ccc([N+](=O)[O-])c(C)c4)CC3)CC2)c(OC)c1.Cc1cc(NC2CCC(OCC(=O)N3CCN(c4ccc(OCC(C)C)cc4)CC3)CC2)ccc1[N+](=O)[O-].Cc1ccc(N2CC(C)N(C(=O)COC3CCC(Nc4ccc([N+](=O)[O-])c(C)c4)CC3)CC2C)cc1.Cc1ccc(N2CCN(C(=O)C(C)OC3CCC(Nc4ccc([N+](=O)[O-])c(C)c4)CC3)CC2)cc1.Cc1ccc(N2CCN(C(=O)COC3CCC(N(C)c4ccc([N+](=O)[O-])c(C)c4)CC3)CC2)cc1
• InChI: InChI=1S/C29H40N4O5.C28H38N4O4.C27H36N4O6.2C27H36N4O4/c1-21(2)19-37-27-11-7-25(8-12-27)31-14-16-32(17-15-31)29(34)20-38-26-9-4-23(5-10-26)30-24-6-13-28(33(35)36)22(3)18-24;1-19-5-10-25(11-6-19)30-16-22(4)31(17-21(30)3)28(33)18-36-26-12-7-23(8-13-26)29-24-9-14-27(32(34)35)20(2)15-24;1-19-16-21(6-10-24(19)31(33)34)28-20-4-7-22(8-5-20)37-18-27(32)30-14-12-29(13-15-30)25-11-9-23(35-2)17-26(25)36-3;1-19-4-9-24(10-5-19)29-14-16-30(17-15-29)27(32)21(3)35-25-11-6-22(7-12-25)28-23-8-13-26(31(33)34)20(2)18-23;1-20-4-6-23(7-5-20)29-14-16-30(17-15-29)27(32)19-35-25-11-8-22(9-12-25)28(3)24-10-13-26(31(33)34)21(2)18-24/h6-8,11-13,18,21,23,26,30H,4-5,9-10,14-17,19-20H2,1-3H3;5-6,9-11,14-15,21-23,26,29H,7-8,12-13,16-18H2,1-4H3;6,9-11,16-17,20,22,28H,4-5,7-8,12-15,18H2,1-3H3;4-5,8-10,13,18,21-22,25,28H,6-7,11-12,14-17H2,1-3H3;4-7,10,13,18,22,25H,8-9,11-12,14-17,19H2,1-3H3
• InChIKey: ABFMUCSUKAQXBF-UHFFFAOYSA-N
• XLogP: 23.13
• TPSA: 458.65 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 33
• Rotatable Bonds: 40
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2493.12
LogP ≤ 5	23.13
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'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-(2,4-dimethoxyphenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[2,5-dimethyl-4-(4-methylphenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;2-[4-(N,3-dimethyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]propan-1-one;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-[4-(2-methylpropoxy)phenyl]piperazin-1-yl]ethanone?

The IUPAC name of 1-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[2,5-dimethyl-4-(4-methylphenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;2-[4-(N,3-dimethyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]propan-1-one;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-[4-(2-methylpropoxy)phenyl]piperazin-1-yl]ethanone (CID 157060049) is 1-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[2,5-dimethyl-4-(4-methylphenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;2-[4-(N,3-dimethyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]propan-1-one;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-[4-(2-methylpropoxy)phenyl]piperazin-1-yl]ethanone.

What is the SMILES notation for 1-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[2,5-dimethyl-4-(4-methylphenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;2-[4-(N,3-dimethyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]propan-1-one;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-[4-(2-methylpropoxy)phenyl]piperazin-1-yl]ethanone?

The canonical SMILES for 1-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[2,5-dimethyl-4-(4-methylphenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;2-[4-(N,3-dimethyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]propan-1-one;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-[4-(2-methylpropoxy)phenyl]piperazin-1-yl]ethanone is COc1ccc(N2CCN(C(=O)COC3CCC(Nc4ccc([N+](=O)[O-])c(C)c4)CC3)CC2)c(OC)c1.Cc1cc(NC2CCC(OCC(=O)N3CCN(c4ccc(OCC(C)C)cc4)CC3)CC2)ccc1[N+](=O)[O-].Cc1ccc(N2CC(C)N(C(=O)COC3CCC(Nc4ccc([N+](=O)[O-])c(C)c4)CC3)CC2C)cc1.Cc1ccc(N2CCN(C(=O)C(C)OC3CCC(Nc4ccc([N+](=O)[O-])c(C)c4)CC3)CC2)cc1.Cc1ccc(N2CCN(C(=O)COC3CCC(N(C)c4ccc([N+](=O)[O-])c(C)c4)CC3)CC2)cc1.

What is the InChIKey of 1-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[2,5-dimethyl-4-(4-methylphenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;2-[4-(N,3-dimethyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]propan-1-one;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-[4-(2-methylpropoxy)phenyl]piperazin-1-yl]ethanone?

The InChIKey is ABFMUCSUKAQXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40N4O5.C28H38N4O4.C27H36N4O6.2C27H36N4O4/c1-21(2)19-37-27-11-7-25(8-12-27)31-14-16-32(17-15-31)29(34)20-38-26-9-4-23(5-10-26)30-24-6-13-28(33(35)36)22(3)18-24;1-19-5-10-25(11-6-19)30-16-22(4)31(17-21(30)3)28(33)18-36-26-12-7-23(8-13-26)29-24-9-14-27(32(34)35)20(2)15-24;1-19-16-21(6-10-24(19)31(33)34)28-20-4-7-22(8-5-20)37-18-27(32)30-14-12-29(13-15-30)25-11-9-23(35-2)17-26(25)36-3;1-19-4-9-24(10-5-19)29-14-16-30(17-15-29)27(32)21(3)35-25-11-6-22(7-12-25)28-23-8-13-26(31(33)34)20(2)18-23;1-20-4-6-23(7-5-20)29-14-16-30(17-15-29)27(32)19-35-25-11-8-22(9-12-25)28(3)24-10-13-26(31(33)34)21(2)18-24/h6-8,11-13,18,21,23,26,30H,4-5,9-10,14-17,19-20H2,1-3H3;5-6,9-11,14-15,21-23,26,29H,7-8,12-13,16-18H2,1-4H3;6,9-11,16-17,20,22,28H,4-5,7-8,12-15,18H2,1-3H3;4-5,8-10,13,18,21-22,25,28H,6-7,11-12,14-17H2,1-3H3;4-7,10,13,18,22,25H,8-9,11-12,14-17,19H2,1-3H3.

What are the key properties of 1-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[2,5-dimethyl-4-(4-methylphenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;2-[4-(N,3-dimethyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]propan-1-one;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-[4-(2-methylpropoxy)phenyl]piperazin-1-yl]ethanone?

1-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[2,5-dimethyl-4-(4-methylphenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;2-[4-(N,3-dimethyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]propan-1-one;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-[4-(2-methylpropoxy)phenyl]piperazin-1-yl]ethanone has a molecular weight of 2493.12 g/mol, XLogP of 23.13, 40 rotatable bonds, 4 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[2,5-dimethyl-4-(4-methylphenyl)piperazin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;2-[4-(N,3-dimethyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]propan-1-one;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-[4-(2-methylpropoxy)phenyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 157060049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).