2-[4-(3,5-dimethyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-methyl-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)propan-1-one;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanethione;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-(3-methyl-4-nitrophenoxy)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanethione;2-[4-(3-methyl-4-nitrophenoxy)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;1-(4-phenylpiperazin-1-yl)-2-[4-(2,3,5-trimethyl-4-nitroanilino)cyclohexyl]oxyethanone

C180H232N26O28S2 — CID 159679905

About 2-[4-(3,5-dimethyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-methyl-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)propan-1-one;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanethione;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-(3-methyl-4-nitrophenoxy)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanethione;2-[4-(3-methyl-4-nitrophenoxy)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;1-(4-phenylpiperazin-1-yl)-2-[4-(2,3,5-trimethyl-4-nitroanilino)cyclohexyl]oxyethanone

2-[4-(3,5-dimethyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-methyl-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)propan-1-one;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanethione;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-(3-methyl-4-nitrophenoxy)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanethione;2-[4-(3-methyl-4-nitrophenoxy)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;1-(4-phenylpiperazin-1-yl)-2-[4-(2,3,5-trimethyl-4-nitroanilino)cyclohexyl]oxyethanone (PubChem CID 159679905) has the molecular formula C180H232N26O28S2 and a molecular weight of 3272.12 g/mol. Its IUPAC name is 2-[4-(3,5-dimethyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-methyl-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)propan-1-one;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanethione;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-(3-methyl-4-nitrophenoxy)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanethione;2-[4-(3-methyl-4-nitrophenoxy)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;1-(4-phenylpiperazin-1-yl)-2-[4-(2,3,5-trimethyl-4-nitroanilino)cyclohexyl]oxyethanone.

Molecular Properties

• Compound Name: 2-[4-(3,5-dimethyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-methyl-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)propan-1-one;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanethione;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-(3-methyl-4-nitrophenoxy)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanethione;2-[4-(3-methyl-4-nitrophenoxy)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;1-(4-phenylpiperazin-1-yl)-2-[4-(2,3,5-trimethyl-4-nitroanilino)cyclohexyl]oxyethanone
• PubChem CID: 159679905
• Molecular Formula: C180H232N26O28S2
• Molecular Weight: 3272.12 g/mol
• Exact Mass: 3269.70
• IUPAC Name: 2-[4-(3,5-dimethyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-methyl-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)propan-1-one;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanethione;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-(3-methyl-4-nitrophenoxy)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanethione;2-[4-(3-methyl-4-nitrophenoxy)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;1-(4-phenylpiperazin-1-yl)-2-[4-(2,3,5-trimethyl-4-nitroanilino)cyclohexyl]oxyethanone
• SMILES: Cc1cc(NC2CCC(OC(C)(C)C(=O)N3CCN(c4ccccc4)CC3)CC2)ccc1[N+](=O)[O-].Cc1cc(NC2CCC(OCC(=O)N3CCN(c4ccccc4)CC3)CC2)c(C)c(C)c1[N+](=O)[O-].Cc1cc(NC2CCC(OCC(=O)N3CCN(c4ccccc4)CC3)CC2)cc(C)c1[N+](=O)[O-].Cc1cc(NC2CCC(OCC(=O)N3CCN(c4ccccc4)CC3)CC2)ccc1[N+](=O)[O-].Cc1cc(NC2CCC(OCC(=S)N3CCN(c4ccccc4)CC3)CC2)ccc1[N+](=O)[O-].Cc1cc(OC2CCC(OCC(=O)N3CCN(c4ccccc4)CC3)CC2)ccc1[N+](=O)[O-].Cc1cc(OC2CCC(OCC(=S)N3CCN(c4ccccc4)CC3)CC2)ccc1[N+](=O)[O-]
• InChI: InChI=1S/2C27H36N4O4.C26H34N4O4.C25H32N4O4.C25H32N4O3S.C25H31N3O5.C25H31N3O4S/c1-20-19-22(11-14-25(20)31(33)34)28-21-9-12-24(13-10-21)35-27(2,3)26(32)30-17-15-29(16-18-30)23-7-5-4-6-8-23;1-19-17-25(20(2)21(3)27(19)31(33)34)28-22-9-11-24(12-10-22)35-18-26(32)30-15-13-29(14-16-30)23-7-5-4-6-8-23;1-19-16-22(17-20(2)26(19)30(32)33)27-21-8-10-24(11-9-21)34-18-25(31)29-14-12-28(13-15-29)23-6-4-3-5-7-23;1-19-17-21(9-12-24(19)29(31)32)26-20-7-10-23(11-8-20)33-18-25(30)28-15-13-27(14-16-28)22-5-3-2-4-6-22;1-19-17-21(9-12-24(19)29(30)31)26-20-7-10-23(11-8-20)32-18-25(33)28-15-13-27(14-16-28)22-5-3-2-4-6-22;1-19-17-23(11-12-24(19)28(30)31)33-22-9-7-21(8-10-22)32-18-25(29)27-15-13-26(14-16-27)20-5-3-2-4-6-20;1-19-17-23(11-12-24(19)28(29)30)32-22-9-7-21(8-10-22)31-18-25(33)27-15-13-26(14-16-27)20-5-3-2-4-6-20/h4-8,11,14,19,21,24,28H,9-10,12-13,15-18H2,1-3H3;4-8,17,22,24,28H,9-16,18H2,1-3H3;3-7,16-17,21,24,27H,8-15,18H2,1-2H3;2*2-6,9,12,17,20,23,26H,7-8,10-11,13-16,18H2,1H3;2*2-6,11-12,17,21-22H,7-10,13-16,18H2,1H3
• InChIKey: MVBUEKJQKFTKCK-UHFFFAOYSA-N
• XLogP: 31.18
• TPSA: 575.91 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 42
• Rotatable Bonds: 49
• Heavy Atoms: 236
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3272.12
LogP ≤ 5	31.18
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-dimethyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-methyl-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)propan-1-one;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanethione;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-(3-methyl-4-nitrophenoxy)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanethione;2-[4-(3-methyl-4-nitrophenoxy)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;1-(4-phenylpiperazin-1-yl)-2-[4-(2,3,5-trimethyl-4-nitroanilino)cyclohexyl]oxyethanone?

The IUPAC name of 2-[4-(3,5-dimethyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-methyl-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)propan-1-one;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanethione;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-(3-methyl-4-nitrophenoxy)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanethione;2-[4-(3-methyl-4-nitrophenoxy)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;1-(4-phenylpiperazin-1-yl)-2-[4-(2,3,5-trimethyl-4-nitroanilino)cyclohexyl]oxyethanone (CID 159679905) is 2-[4-(3,5-dimethyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-methyl-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)propan-1-one;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanethione;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-(3-methyl-4-nitrophenoxy)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanethione;2-[4-(3-methyl-4-nitrophenoxy)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;1-(4-phenylpiperazin-1-yl)-2-[4-(2,3,5-trimethyl-4-nitroanilino)cyclohexyl]oxyethanone.

What is the SMILES notation for 2-[4-(3,5-dimethyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-methyl-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)propan-1-one;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanethione;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-(3-methyl-4-nitrophenoxy)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanethione;2-[4-(3-methyl-4-nitrophenoxy)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;1-(4-phenylpiperazin-1-yl)-2-[4-(2,3,5-trimethyl-4-nitroanilino)cyclohexyl]oxyethanone?

The canonical SMILES for 2-[4-(3,5-dimethyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-methyl-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)propan-1-one;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanethione;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-(3-methyl-4-nitrophenoxy)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanethione;2-[4-(3-methyl-4-nitrophenoxy)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;1-(4-phenylpiperazin-1-yl)-2-[4-(2,3,5-trimethyl-4-nitroanilino)cyclohexyl]oxyethanone is Cc1cc(NC2CCC(OC(C)(C)C(=O)N3CCN(c4ccccc4)CC3)CC2)ccc1[N+](=O)[O-].Cc1cc(NC2CCC(OCC(=O)N3CCN(c4ccccc4)CC3)CC2)c(C)c(C)c1[N+](=O)[O-].Cc1cc(NC2CCC(OCC(=O)N3CCN(c4ccccc4)CC3)CC2)cc(C)c1[N+](=O)[O-].Cc1cc(NC2CCC(OCC(=O)N3CCN(c4ccccc4)CC3)CC2)ccc1[N+](=O)[O-].Cc1cc(NC2CCC(OCC(=S)N3CCN(c4ccccc4)CC3)CC2)ccc1[N+](=O)[O-].Cc1cc(OC2CCC(OCC(=O)N3CCN(c4ccccc4)CC3)CC2)ccc1[N+](=O)[O-].Cc1cc(OC2CCC(OCC(=S)N3CCN(c4ccccc4)CC3)CC2)ccc1[N+](=O)[O-].

What is the InChIKey of 2-[4-(3,5-dimethyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-methyl-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)propan-1-one;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanethione;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-(3-methyl-4-nitrophenoxy)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanethione;2-[4-(3-methyl-4-nitrophenoxy)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;1-(4-phenylpiperazin-1-yl)-2-[4-(2,3,5-trimethyl-4-nitroanilino)cyclohexyl]oxyethanone?

The InChIKey is MVBUEKJQKFTKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H36N4O4.C26H34N4O4.C25H32N4O4.C25H32N4O3S.C25H31N3O5.C25H31N3O4S/c1-20-19-22(11-14-25(20)31(33)34)28-21-9-12-24(13-10-21)35-27(2,3)26(32)30-17-15-29(16-18-30)23-7-5-4-6-8-23;1-19-17-25(20(2)21(3)27(19)31(33)34)28-22-9-11-24(12-10-22)35-18-26(32)30-15-13-29(14-16-30)23-7-5-4-6-8-23;1-19-16-22(17-20(2)26(19)30(32)33)27-21-8-10-24(11-9-21)34-18-25(31)29-14-12-28(13-15-29)23-6-4-3-5-7-23;1-19-17-21(9-12-24(19)29(31)32)26-20-7-10-23(11-8-20)33-18-25(30)28-15-13-27(14-16-28)22-5-3-2-4-6-22;1-19-17-21(9-12-24(19)29(30)31)26-20-7-10-23(11-8-20)32-18-25(33)28-15-13-27(14-16-28)22-5-3-2-4-6-22;1-19-17-23(11-12-24(19)28(30)31)33-22-9-7-21(8-10-22)32-18-25(29)27-15-13-26(14-16-27)20-5-3-2-4-6-20;1-19-17-23(11-12-24(19)28(29)30)32-22-9-7-21(8-10-22)31-18-25(33)27-15-13-26(14-16-27)20-5-3-2-4-6-20/h4-8,11,14,19,21,24,28H,9-10,12-13,15-18H2,1-3H3;4-8,17,22,24,28H,9-16,18H2,1-3H3;3-7,16-17,21,24,27H,8-15,18H2,1-2H3;2*2-6,9,12,17,20,23,26H,7-8,10-11,13-16,18H2,1H3;2*2-6,11-12,17,21-22H,7-10,13-16,18H2,1H3.

What are the key properties of 2-[4-(3,5-dimethyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-methyl-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)propan-1-one;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanethione;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-(3-methyl-4-nitrophenoxy)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanethione;2-[4-(3-methyl-4-nitrophenoxy)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;1-(4-phenylpiperazin-1-yl)-2-[4-(2,3,5-trimethyl-4-nitroanilino)cyclohexyl]oxyethanone?

2-[4-(3,5-dimethyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-methyl-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)propan-1-one;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanethione;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-(3-methyl-4-nitrophenoxy)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanethione;2-[4-(3-methyl-4-nitrophenoxy)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;1-(4-phenylpiperazin-1-yl)-2-[4-(2,3,5-trimethyl-4-nitroanilino)cyclohexyl]oxyethanone has a molecular weight of 3272.12 g/mol, XLogP of 31.18, 49 rotatable bonds, 5 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(3,5-dimethyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-methyl-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)propan-1-one;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanethione;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-(3-methyl-4-nitrophenoxy)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanethione;2-[4-(3-methyl-4-nitrophenoxy)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;1-(4-phenylpiperazin-1-yl)-2-[4-(2,3,5-trimethyl-4-nitroanilino)cyclohexyl]oxyethanone is sourced from PubChem (CID 159679905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).