N-[4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethoxy]cyclohexyl]-3-methyl-4-nitroaniline;1-[4-(4-tert-butylphenyl)piperidin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;N-[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethoxy]cyclohexyl]-3-methyl-4-nitroaniline;1-[4-(2,4-difluorophenyl)piperidin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;3-methyl-N-[4-[2-[4-(4-methylphenyl)piperazin-1-yl]ethoxy]cyclohexyl]-4-nitroaniline;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-phenylphenyl)piperidin-1-yl]ethanone

C168H220ClF2N21O21 — CID 160848701

About N-[4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethoxy]cyclohexyl]-3-methyl-4-nitroaniline;1-[4-(4-tert-butylphenyl)piperidin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;N-[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethoxy]cyclohexyl]-3-methyl-4-nitroaniline;1-[4-(2,4-difluorophenyl)piperidin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;3-methyl-N-[4-[2-[4-(4-methylphenyl)piperazin-1-yl]ethoxy]cyclohexyl]-4-nitroaniline;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-phenylphenyl)piperidin-1-yl]ethanone

N-[4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethoxy]cyclohexyl]-3-methyl-4-nitroaniline;1-[4-(4-tert-butylphenyl)piperidin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;N-[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethoxy]cyclohexyl]-3-methyl-4-nitroaniline;1-[4-(2,4-difluorophenyl)piperidin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;3-methyl-N-[4-[2-[4-(4-methylphenyl)piperazin-1-yl]ethoxy]cyclohexyl]-4-nitroaniline;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-phenylphenyl)piperidin-1-yl]ethanone (PubChem CID 160848701) has the molecular formula C168H220ClF2N21O21 and a molecular weight of 2943.18 g/mol. Its IUPAC name is N-[4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethoxy]cyclohexyl]-3-methyl-4-nitroaniline;1-[4-(4-tert-butylphenyl)piperidin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;N-[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethoxy]cyclohexyl]-3-methyl-4-nitroaniline;1-[4-(2,4-difluorophenyl)piperidin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;3-methyl-N-[4-[2-[4-(4-methylphenyl)piperazin-1-yl]ethoxy]cyclohexyl]-4-nitroaniline;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-phenylphenyl)piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: N-[4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethoxy]cyclohexyl]-3-methyl-4-nitroaniline;1-[4-(4-tert-butylphenyl)piperidin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;N-[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethoxy]cyclohexyl]-3-methyl-4-nitroaniline;1-[4-(2,4-difluorophenyl)piperidin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;3-methyl-N-[4-[2-[4-(4-methylphenyl)piperazin-1-yl]ethoxy]cyclohexyl]-4-nitroaniline;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-phenylphenyl)piperidin-1-yl]ethanone
• PubChem CID: 160848701
• Molecular Formula: C168H220ClF2N21O21
• Molecular Weight: 2943.18 g/mol
• Exact Mass: 2940.64
• IUPAC Name: N-[4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethoxy]cyclohexyl]-3-methyl-4-nitroaniline;1-[4-(4-tert-butylphenyl)piperidin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;N-[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethoxy]cyclohexyl]-3-methyl-4-nitroaniline;1-[4-(2,4-difluorophenyl)piperidin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;3-methyl-N-[4-[2-[4-(4-methylphenyl)piperazin-1-yl]ethoxy]cyclohexyl]-4-nitroaniline;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-phenylphenyl)piperidin-1-yl]ethanone
• SMILES: Cc1cc(NC2CCC(OCC(=O)N3CCC(c4ccc(-c5ccccc5)cc4)CC3)CC2)ccc1[N+](=O)[O-].Cc1cc(NC2CCC(OCC(=O)N3CCC(c4ccc(C(C)(C)C)cc4)CC3)CC2)ccc1[N+](=O)[O-].Cc1cc(NC2CCC(OCC(=O)N3CCC(c4ccc(F)cc4F)CC3)CC2)ccc1[N+](=O)[O-].Cc1cc(NC2CCC(OCCN3CCN(c4ccc(C(C)(C)C)cc4)CC3)CC2)ccc1[N+](=O)[O-].Cc1cc(NC2CCC(OCCN3CCN(c4ccc(Cl)cc4)CC3)CC2)ccc1[N+](=O)[O-].Cc1ccc(N2CCN(CCOC3CCC(Nc4ccc([N+](=O)[O-])c(C)c4)CC3)CC2)cc1
• InChI: InChI=1S/C32H37N3O4.C30H41N3O4.C29H42N4O3.C26H31F2N3O4.C26H36N4O3.C25H33ClN4O3/c1-23-21-29(13-16-31(23)35(37)38)33-28-11-14-30(15-12-28)39-22-32(36)34-19-17-27(18-20-34)26-9-7-25(8-10-26)24-5-3-2-4-6-24;1-21-19-26(11-14-28(21)33(35)36)31-25-9-12-27(13-10-25)37-20-29(34)32-17-15-23(16-18-32)22-5-7-24(8-6-22)30(2,3)4;1-22-21-25(9-14-28(22)33(34)35)30-24-7-12-27(13-8-24)36-20-19-31-15-17-32(18-16-31)26-10-5-23(6-11-26)29(2,3)4;1-17-14-21(5-9-25(17)31(33)34)29-20-3-6-22(7-4-20)35-16-26(32)30-12-10-18(11-13-30)23-8-2-19(27)15-24(23)28;1-20-3-8-24(9-4-20)29-15-13-28(14-16-29)17-18-33-25-10-5-22(6-11-25)27-23-7-12-26(30(31)32)21(2)19-23;1-19-18-22(6-11-25(19)30(31)32)27-21-4-9-24(10-5-21)33-17-16-28-12-14-29(15-13-28)23-7-2-20(26)3-8-23/h2-10,13,16,21,27-28,30,33H,11-12,14-15,17-20,22H2,1H3;5-8,11,14,19,23,25,27,31H,9-10,12-13,15-18,20H2,1-4H3;5-6,9-11,14,21,24,27,30H,7-8,12-13,15-20H2,1-4H3;2,5,8-9,14-15,18,20,22,29H,3-4,6-7,10-13,16H2,1H3;3-4,7-9,12,19,22,25,27H,5-6,10-11,13-18H2,1-2H3;2-3,6-8,11,18,21,24,27H,4-5,9-10,12-17H2,1H3
• InChIKey: SIZBHBREKFCDBC-UHFFFAOYSA-N
• XLogP: 34.04
• TPSA: 466.77 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 33
• Rotatable Bonds: 46
• Heavy Atoms: 213
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2943.18
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 N-[4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethoxy]cyclohexyl]-3-methyl-4-nitroaniline;1-[4-(4-tert-butylphenyl)piperidin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;N-[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethoxy]cyclohexyl]-3-methyl-4-nitroaniline;1-[4-(2,4-difluorophenyl)piperidin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;3-methyl-N-[4-[2-[4-(4-methylphenyl)piperazin-1-yl]ethoxy]cyclohexyl]-4-nitroaniline;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-phenylphenyl)piperidin-1-yl]ethanone?

The IUPAC name of N-[4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethoxy]cyclohexyl]-3-methyl-4-nitroaniline;1-[4-(4-tert-butylphenyl)piperidin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;N-[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethoxy]cyclohexyl]-3-methyl-4-nitroaniline;1-[4-(2,4-difluorophenyl)piperidin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;3-methyl-N-[4-[2-[4-(4-methylphenyl)piperazin-1-yl]ethoxy]cyclohexyl]-4-nitroaniline;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-phenylphenyl)piperidin-1-yl]ethanone (CID 160848701) is N-[4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethoxy]cyclohexyl]-3-methyl-4-nitroaniline;1-[4-(4-tert-butylphenyl)piperidin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;N-[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethoxy]cyclohexyl]-3-methyl-4-nitroaniline;1-[4-(2,4-difluorophenyl)piperidin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;3-methyl-N-[4-[2-[4-(4-methylphenyl)piperazin-1-yl]ethoxy]cyclohexyl]-4-nitroaniline;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-phenylphenyl)piperidin-1-yl]ethanone.

What is the SMILES notation for N-[4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethoxy]cyclohexyl]-3-methyl-4-nitroaniline;1-[4-(4-tert-butylphenyl)piperidin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;N-[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethoxy]cyclohexyl]-3-methyl-4-nitroaniline;1-[4-(2,4-difluorophenyl)piperidin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;3-methyl-N-[4-[2-[4-(4-methylphenyl)piperazin-1-yl]ethoxy]cyclohexyl]-4-nitroaniline;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-phenylphenyl)piperidin-1-yl]ethanone?

The canonical SMILES for N-[4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethoxy]cyclohexyl]-3-methyl-4-nitroaniline;1-[4-(4-tert-butylphenyl)piperidin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;N-[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethoxy]cyclohexyl]-3-methyl-4-nitroaniline;1-[4-(2,4-difluorophenyl)piperidin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;3-methyl-N-[4-[2-[4-(4-methylphenyl)piperazin-1-yl]ethoxy]cyclohexyl]-4-nitroaniline;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-phenylphenyl)piperidin-1-yl]ethanone is Cc1cc(NC2CCC(OCC(=O)N3CCC(c4ccc(-c5ccccc5)cc4)CC3)CC2)ccc1[N+](=O)[O-].Cc1cc(NC2CCC(OCC(=O)N3CCC(c4ccc(C(C)(C)C)cc4)CC3)CC2)ccc1[N+](=O)[O-].Cc1cc(NC2CCC(OCC(=O)N3CCC(c4ccc(F)cc4F)CC3)CC2)ccc1[N+](=O)[O-].Cc1cc(NC2CCC(OCCN3CCN(c4ccc(C(C)(C)C)cc4)CC3)CC2)ccc1[N+](=O)[O-].Cc1cc(NC2CCC(OCCN3CCN(c4ccc(Cl)cc4)CC3)CC2)ccc1[N+](=O)[O-].Cc1ccc(N2CCN(CCOC3CCC(Nc4ccc([N+](=O)[O-])c(C)c4)CC3)CC2)cc1.

What is the InChIKey of N-[4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethoxy]cyclohexyl]-3-methyl-4-nitroaniline;1-[4-(4-tert-butylphenyl)piperidin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;N-[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethoxy]cyclohexyl]-3-methyl-4-nitroaniline;1-[4-(2,4-difluorophenyl)piperidin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;3-methyl-N-[4-[2-[4-(4-methylphenyl)piperazin-1-yl]ethoxy]cyclohexyl]-4-nitroaniline;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-phenylphenyl)piperidin-1-yl]ethanone?

The InChIKey is SIZBHBREKFCDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N3O4.C30H41N3O4.C29H42N4O3.C26H31F2N3O4.C26H36N4O3.C25H33ClN4O3/c1-23-21-29(13-16-31(23)35(37)38)33-28-11-14-30(15-12-28)39-22-32(36)34-19-17-27(18-20-34)26-9-7-25(8-10-26)24-5-3-2-4-6-24;1-21-19-26(11-14-28(21)33(35)36)31-25-9-12-27(13-10-25)37-20-29(34)32-17-15-23(16-18-32)22-5-7-24(8-6-22)30(2,3)4;1-22-21-25(9-14-28(22)33(34)35)30-24-7-12-27(13-8-24)36-20-19-31-15-17-32(18-16-31)26-10-5-23(6-11-26)29(2,3)4;1-17-14-21(5-9-25(17)31(33)34)29-20-3-6-22(7-4-20)35-16-26(32)30-12-10-18(11-13-30)23-8-2-19(27)15-24(23)28;1-20-3-8-24(9-4-20)29-15-13-28(14-16-29)17-18-33-25-10-5-22(6-11-25)27-23-7-12-26(30(31)32)21(2)19-23;1-19-18-22(6-11-25(19)30(31)32)27-21-4-9-24(10-5-21)33-17-16-28-12-14-29(15-13-28)23-7-2-20(26)3-8-23/h2-10,13,16,21,27-28,30,33H,11-12,14-15,17-20,22H2,1H3;5-8,11,14,19,23,25,27,31H,9-10,12-13,15-18,20H2,1-4H3;5-6,9-11,14,21,24,27,30H,7-8,12-13,15-20H2,1-4H3;2,5,8-9,14-15,18,20,22,29H,3-4,6-7,10-13,16H2,1H3;3-4,7-9,12,19,22,25,27H,5-6,10-11,13-18H2,1-2H3;2-3,6-8,11,18,21,24,27H,4-5,9-10,12-17H2,1H3.

What are the key properties of N-[4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethoxy]cyclohexyl]-3-methyl-4-nitroaniline;1-[4-(4-tert-butylphenyl)piperidin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;N-[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethoxy]cyclohexyl]-3-methyl-4-nitroaniline;1-[4-(2,4-difluorophenyl)piperidin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;3-methyl-N-[4-[2-[4-(4-methylphenyl)piperazin-1-yl]ethoxy]cyclohexyl]-4-nitroaniline;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-phenylphenyl)piperidin-1-yl]ethanone?

N-[4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethoxy]cyclohexyl]-3-methyl-4-nitroaniline;1-[4-(4-tert-butylphenyl)piperidin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;N-[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethoxy]cyclohexyl]-3-methyl-4-nitroaniline;1-[4-(2,4-difluorophenyl)piperidin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;3-methyl-N-[4-[2-[4-(4-methylphenyl)piperazin-1-yl]ethoxy]cyclohexyl]-4-nitroaniline;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-phenylphenyl)piperidin-1-yl]ethanone has a molecular weight of 2943.18 g/mol, XLogP of 34.04, 46 rotatable bonds, 6 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethoxy]cyclohexyl]-3-methyl-4-nitroaniline;1-[4-(4-tert-butylphenyl)piperidin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;N-[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethoxy]cyclohexyl]-3-methyl-4-nitroaniline;1-[4-(2,4-difluorophenyl)piperidin-1-yl]-2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxyethanone;3-methyl-N-[4-[2-[4-(4-methylphenyl)piperazin-1-yl]ethoxy]cyclohexyl]-4-nitroaniline;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-[4-(4-phenylphenyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 160848701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).