1-[4-(4-chlorophenyl)piperidin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(4-methoxyphenyl)piperidin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;2-methyl-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-methylphenyl)piperidin-1-yl]ethanone;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-phenoxyphenyl)piperidin-1-yl]ethanone;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-propylphenyl)piperidin-1-yl]ethanone

C169H216ClN19O26 — CID 161353614

About 1-[4-(4-chlorophenyl)piperidin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(4-methoxyphenyl)piperidin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;2-methyl-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-methylphenyl)piperidin-1-yl]ethanone;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-phenoxyphenyl)piperidin-1-yl]ethanone;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-propylphenyl)piperidin-1-yl]ethanone

1-[4-(4-chlorophenyl)piperidin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(4-methoxyphenyl)piperidin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;2-methyl-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-methylphenyl)piperidin-1-yl]ethanone;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-phenoxyphenyl)piperidin-1-yl]ethanone;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-propylphenyl)piperidin-1-yl]ethanone (PubChem CID 161353614) has the molecular formula C169H216ClN19O26 and a molecular weight of 2965.15 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)piperidin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(4-methoxyphenyl)piperidin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;2-methyl-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-methylphenyl)piperidin-1-yl]ethanone;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-phenoxyphenyl)piperidin-1-yl]ethanone;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-propylphenyl)piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[4-(4-chlorophenyl)piperidin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(4-methoxyphenyl)piperidin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;2-methyl-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-methylphenyl)piperidin-1-yl]ethanone;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-phenoxyphenyl)piperidin-1-yl]ethanone;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-propylphenyl)piperidin-1-yl]ethanone
• PubChem CID: 161353614
• Molecular Formula: C169H216ClN19O26
• Molecular Weight: 2965.15 g/mol
• Exact Mass: 2962.59
• IUPAC Name: 1-[4-(4-chlorophenyl)piperidin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(4-methoxyphenyl)piperidin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;2-methyl-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-methylphenyl)piperidin-1-yl]ethanone;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-phenoxyphenyl)piperidin-1-yl]ethanone;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-propylphenyl)piperidin-1-yl]ethanone
• SMILES: CCCc1ccc(C2CCN(C(=O)COC3CCC(Nc4ccc([N+](=O)[O-])c(C)c4)CC3)CC2)cc1.COc1ccc(C2CCN(C(=O)COC3CCC(Nc4ccc([N+](=O)[O-])c(C)c4)CC3)CC2)cc1.Cc1cc(NC2CCC(OCC(=O)N3CCC(c4ccc(Cl)cc4)CC3)CC2)ccc1[N+](=O)[O-].Cc1cc(NC2CCC(OCC(=O)N3CCC(c4ccc(Oc5ccccc5)cc4)CC3)CC2)ccc1[N+](=O)[O-].Cc1ccc(C2CCN(C(=O)COC3CCC(Nc4ccc([N+](=O)[O-])c(C)c4)CC3)CC2)cc1.Cc1ccc(N2CCN(C(=O)C(C)(C)OC3CCC(Nc4ccc([N+](=O)[O-])c(C)c4)CC3)CC2)cc1
• InChI: InChI=1S/C32H37N3O5.C29H39N3O4.C28H38N4O4.C27H35N3O5.C27H35N3O4.C26H32ClN3O4/c1-23-21-27(11-16-31(23)35(37)38)33-26-9-14-28(15-10-26)39-22-32(36)34-19-17-25(18-20-34)24-7-12-30(13-8-24)40-29-5-3-2-4-6-29;1-3-4-22-5-7-23(8-6-22)24-15-17-31(18-16-24)29(33)20-36-27-12-9-25(10-13-27)30-26-11-14-28(32(34)35)21(2)19-26;1-20-5-10-24(11-6-20)30-15-17-31(18-16-30)27(33)28(3,4)36-25-12-7-22(8-13-25)29-23-9-14-26(32(34)35)21(2)19-23;1-19-17-23(7-12-26(19)30(32)33)28-22-5-10-25(11-6-22)35-18-27(31)29-15-13-21(14-16-29)20-3-8-24(34-2)9-4-20;1-19-3-5-21(6-4-19)22-13-15-29(16-14-22)27(31)18-34-25-10-7-23(8-11-25)28-24-9-12-26(30(32)33)20(2)17-24;1-18-16-23(8-11-25(18)30(32)33)28-22-6-9-24(10-7-22)34-17-26(31)29-14-12-20(13-15-29)19-2-4-21(27)5-3-19/h2-8,11-13,16,21,25-26,28,33H,9-10,14-15,17-20,22H2,1H3;5-8,11,14,19,24-25,27,30H,3-4,9-10,12-13,15-18,20H2,1-2H3;5-6,9-11,14,19,22,25,29H,7-8,12-13,15-18H2,1-4H3;3-4,7-9,12,17,21-22,25,28H,5-6,10-11,13-16,18H2,1-2H3;3-6,9,12,17,22-23,25,28H,7-8,10-11,13-16,18H2,1-2H3;2-5,8,11,16,20,22,24,28H,6-7,9-10,12-15,17H2,1H3
• InChIKey: VOFZMYDCCZWSRI-UHFFFAOYSA-N
• XLogP: 34.04
• TPSA: 529.96 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 33
• Rotatable Bonds: 47
• Heavy Atoms: 215
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2965.15
LogP ≤ 5	34.04
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'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-(4-chlorophenyl)piperidin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(4-methoxyphenyl)piperidin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;2-methyl-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-methylphenyl)piperidin-1-yl]ethanone;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-phenoxyphenyl)piperidin-1-yl]ethanone;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-propylphenyl)piperidin-1-yl]ethanone?

The IUPAC name of 1-[4-(4-chlorophenyl)piperidin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(4-methoxyphenyl)piperidin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;2-methyl-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-methylphenyl)piperidin-1-yl]ethanone;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-phenoxyphenyl)piperidin-1-yl]ethanone;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-propylphenyl)piperidin-1-yl]ethanone (CID 161353614) is 1-[4-(4-chlorophenyl)piperidin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(4-methoxyphenyl)piperidin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;2-methyl-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-methylphenyl)piperidin-1-yl]ethanone;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-phenoxyphenyl)piperidin-1-yl]ethanone;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-propylphenyl)piperidin-1-yl]ethanone.

What is the SMILES notation for 1-[4-(4-chlorophenyl)piperidin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(4-methoxyphenyl)piperidin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;2-methyl-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-methylphenyl)piperidin-1-yl]ethanone;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-phenoxyphenyl)piperidin-1-yl]ethanone;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-propylphenyl)piperidin-1-yl]ethanone?

The canonical SMILES for 1-[4-(4-chlorophenyl)piperidin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(4-methoxyphenyl)piperidin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;2-methyl-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-methylphenyl)piperidin-1-yl]ethanone;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-phenoxyphenyl)piperidin-1-yl]ethanone;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-propylphenyl)piperidin-1-yl]ethanone is CCCc1ccc(C2CCN(C(=O)COC3CCC(Nc4ccc([N+](=O)[O-])c(C)c4)CC3)CC2)cc1.COc1ccc(C2CCN(C(=O)COC3CCC(Nc4ccc([N+](=O)[O-])c(C)c4)CC3)CC2)cc1.Cc1cc(NC2CCC(OCC(=O)N3CCC(c4ccc(Cl)cc4)CC3)CC2)ccc1[N+](=O)[O-].Cc1cc(NC2CCC(OCC(=O)N3CCC(c4ccc(Oc5ccccc5)cc4)CC3)CC2)ccc1[N+](=O)[O-].Cc1ccc(C2CCN(C(=O)COC3CCC(Nc4ccc([N+](=O)[O-])c(C)c4)CC3)CC2)cc1.Cc1ccc(N2CCN(C(=O)C(C)(C)OC3CCC(Nc4ccc([N+](=O)[O-])c(C)c4)CC3)CC2)cc1.

What is the InChIKey of 1-[4-(4-chlorophenyl)piperidin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(4-methoxyphenyl)piperidin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;2-methyl-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-methylphenyl)piperidin-1-yl]ethanone;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-phenoxyphenyl)piperidin-1-yl]ethanone;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-propylphenyl)piperidin-1-yl]ethanone?

The InChIKey is VOFZMYDCCZWSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N3O5.C29H39N3O4.C28H38N4O4.C27H35N3O5.C27H35N3O4.C26H32ClN3O4/c1-23-21-27(11-16-31(23)35(37)38)33-26-9-14-28(15-10-26)39-22-32(36)34-19-17-25(18-20-34)24-7-12-30(13-8-24)40-29-5-3-2-4-6-29;1-3-4-22-5-7-23(8-6-22)24-15-17-31(18-16-24)29(33)20-36-27-12-9-25(10-13-27)30-26-11-14-28(32(34)35)21(2)19-26;1-20-5-10-24(11-6-20)30-15-17-31(18-16-30)27(33)28(3,4)36-25-12-7-22(8-13-25)29-23-9-14-26(32(34)35)21(2)19-23;1-19-17-23(7-12-26(19)30(32)33)28-22-5-10-25(11-6-22)35-18-27(31)29-15-13-21(14-16-29)20-3-8-24(34-2)9-4-20;1-19-3-5-21(6-4-19)22-13-15-29(16-14-22)27(31)18-34-25-10-7-23(8-11-25)28-24-9-12-26(30(32)33)20(2)17-24;1-18-16-23(8-11-25(18)30(32)33)28-22-6-9-24(10-7-22)34-17-26(31)29-14-12-20(13-15-29)19-2-4-21(27)5-3-19/h2-8,11-13,16,21,25-26,28,33H,9-10,14-15,17-20,22H2,1H3;5-8,11,14,19,24-25,27,30H,3-4,9-10,12-13,15-18,20H2,1-2H3;5-6,9-11,14,19,22,25,29H,7-8,12-13,15-18H2,1-4H3;3-4,7-9,12,17,21-22,25,28H,5-6,10-11,13-16,18H2,1-2H3;3-6,9,12,17,22-23,25,28H,7-8,10-11,13-16,18H2,1-2H3;2-5,8,11,16,20,22,24,28H,6-7,9-10,12-15,17H2,1H3.

What are the key properties of 1-[4-(4-chlorophenyl)piperidin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(4-methoxyphenyl)piperidin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;2-methyl-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-methylphenyl)piperidin-1-yl]ethanone;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-phenoxyphenyl)piperidin-1-yl]ethanone;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-propylphenyl)piperidin-1-yl]ethanone?

1-[4-(4-chlorophenyl)piperidin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(4-methoxyphenyl)piperidin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;2-methyl-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-methylphenyl)piperidin-1-yl]ethanone;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-phenoxyphenyl)piperidin-1-yl]ethanone;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-propylphenyl)piperidin-1-yl]ethanone has a molecular weight of 2965.15 g/mol, XLogP of 34.04, 47 rotatable bonds, 6 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(4-chlorophenyl)piperidin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;1-[4-(4-methoxyphenyl)piperidin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;2-methyl-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-methylphenyl)piperidin-1-yl]ethanone;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-phenoxyphenyl)piperidin-1-yl]ethanone;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-propylphenyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 161353614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).