N-[[1-(4-tert-butylphenyl)piperidin-4-yl]methyl]-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;N-[[1-(4-chlorophenyl)piperidin-4-yl]methyl]-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;N-[[1-(4-ethoxyphenyl)piperidin-4-yl]methyl]-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;bis(N-[[1-(4-methylphenyl)piperidin-4-yl]methyl]-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide);4-[4-methyl-3-(trifluoromethyl)anilino]-N-[(1-phenylpiperidin-4-yl)methyl]cyclohexane-1-carboxamide

C170H219ClF18N18O7 — CID 159205349

About N-[[1-(4-tert-butylphenyl)piperidin-4-yl]methyl]-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;N-[[1-(4-chlorophenyl)piperidin-4-yl]methyl]-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;N-[[1-(4-ethoxyphenyl)piperidin-4-yl]methyl]-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;bis(N-[[1-(4-methylphenyl)piperidin-4-yl]methyl]-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide);4-[4-methyl-3-(trifluoromethyl)anilino]-N-[(1-phenylpiperidin-4-yl)methyl]cyclohexane-1-carboxamide

N-[[1-(4-tert-butylphenyl)piperidin-4-yl]methyl]-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;N-[[1-(4-chlorophenyl)piperidin-4-yl]methyl]-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;N-[[1-(4-ethoxyphenyl)piperidin-4-yl]methyl]-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;bis(N-[[1-(4-methylphenyl)piperidin-4-yl]methyl]-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide);4-[4-methyl-3-(trifluoromethyl)anilino]-N-[(1-phenylpiperidin-4-yl)methyl]cyclohexane-1-carboxamide (PubChem CID 159205349) has the molecular formula C170H219ClF18N18O7 and a molecular weight of 3004.16 g/mol. Its IUPAC name is N-[[1-(4-tert-butylphenyl)piperidin-4-yl]methyl]-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;N-[[1-(4-chlorophenyl)piperidin-4-yl]methyl]-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;N-[[1-(4-ethoxyphenyl)piperidin-4-yl]methyl]-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;bis(N-[[1-(4-methylphenyl)piperidin-4-yl]methyl]-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide);4-[4-methyl-3-(trifluoromethyl)anilino]-N-[(1-phenylpiperidin-4-yl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

• Compound Name: N-[[1-(4-tert-butylphenyl)piperidin-4-yl]methyl]-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;N-[[1-(4-chlorophenyl)piperidin-4-yl]methyl]-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;N-[[1-(4-ethoxyphenyl)piperidin-4-yl]methyl]-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;bis(N-[[1-(4-methylphenyl)piperidin-4-yl]methyl]-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide);4-[4-methyl-3-(trifluoromethyl)anilino]-N-[(1-phenylpiperidin-4-yl)methyl]cyclohexane-1-carboxamide
• PubChem CID: 159205349
• Molecular Formula: C170H219ClF18N18O7
• Molecular Weight: 3004.16 g/mol
• Exact Mass: 3001.67
• IUPAC Name: N-[[1-(4-tert-butylphenyl)piperidin-4-yl]methyl]-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;N-[[1-(4-chlorophenyl)piperidin-4-yl]methyl]-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;N-[[1-(4-ethoxyphenyl)piperidin-4-yl]methyl]-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;bis(N-[[1-(4-methylphenyl)piperidin-4-yl]methyl]-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide);4-[4-methyl-3-(trifluoromethyl)anilino]-N-[(1-phenylpiperidin-4-yl)methyl]cyclohexane-1-carboxamide
• SMILES: CCOc1ccc(N2CCC(CNC(=O)C3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1.Cc1ccc(N2CCC(CNC(=O)C3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1.Cc1ccc(N2CCC(CNC(=O)C3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1.Cc1ccc(NC2CCC(C(=O)NCC3CCN(c4ccc(C(C)(C)C)cc4)CC3)CC2)cc1C(F)(F)F.Cc1ccc(NC2CCC(C(=O)NCC3CCN(c4ccc(Cl)cc4)CC3)CC2)cc1C(F)(F)F.Cc1ccc(NC2CCC(C(=O)NCC3CCN(c4ccccc4)CC3)CC2)cc1C(F)(F)F
• InChI: InChI=1S/C31H42F3N3O.C29H38F3N3O2.2C28H36F3N3O.C27H33ClF3N3O.C27H34F3N3O/c1-21-5-10-26(19-28(21)31(32,33)34)36-25-11-6-23(7-12-25)29(38)35-20-22-15-17-37(18-16-22)27-13-8-24(9-14-27)30(2,3)4;1-3-37-26-12-10-25(11-13-26)35-16-14-21(15-17-35)19-33-28(36)22-5-8-23(9-6-22)34-24-7-4-20(2)27(18-24)29(30,31)32;2*1-19-3-11-25(12-4-19)34-15-13-21(14-16-34)18-32-27(35)22-6-9-23(10-7-22)33-24-8-5-20(2)26(17-24)28(29,30)31;1-18-2-7-23(16-25(18)27(29,30)31)33-22-8-3-20(4-9-22)26(35)32-17-19-12-14-34(15-13-19)24-10-5-21(28)6-11-24;1-19-7-10-23(17-25(19)27(28,29)30)32-22-11-8-21(9-12-22)26(34)31-18-20-13-15-33(16-14-20)24-5-3-2-4-6-24/h5,8-10,13-14,19,22-23,25,36H,6-7,11-12,15-18,20H2,1-4H3,(H,35,38);4,7,10-13,18,21-23,34H,3,5-6,8-9,14-17,19H2,1-2H3,(H,33,36);2*3-5,8,11-12,17,21-23,33H,6-7,9-10,13-16,18H2,1-2H3,(H,32,35);2,5-7,10-11,16,19-20,22,33H,3-4,8-9,12-15,17H2,1H3,(H,32,35);2-7,10,17,20-22,32H,8-9,11-16,18H2,1H3,(H,31,34)
• InChIKey: KPUSKZAXEGZBDN-UHFFFAOYSA-N
• XLogP: 39.07
• TPSA: 275.45 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 19
• Rotatable Bonds: 38
• Heavy Atoms: 214
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3004.16
LogP ≤ 5	39.07
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	19

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'}

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-tert-butylphenyl)piperidin-4-yl]methyl]-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;N-[[1-(4-chlorophenyl)piperidin-4-yl]methyl]-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;N-[[1-(4-ethoxyphenyl)piperidin-4-yl]methyl]-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;bis(N-[[1-(4-methylphenyl)piperidin-4-yl]methyl]-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide);4-[4-methyl-3-(trifluoromethyl)anilino]-N-[(1-phenylpiperidin-4-yl)methyl]cyclohexane-1-carboxamide?

The IUPAC name of N-[[1-(4-tert-butylphenyl)piperidin-4-yl]methyl]-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;N-[[1-(4-chlorophenyl)piperidin-4-yl]methyl]-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;N-[[1-(4-ethoxyphenyl)piperidin-4-yl]methyl]-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;bis(N-[[1-(4-methylphenyl)piperidin-4-yl]methyl]-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide);4-[4-methyl-3-(trifluoromethyl)anilino]-N-[(1-phenylpiperidin-4-yl)methyl]cyclohexane-1-carboxamide (CID 159205349) is N-[[1-(4-tert-butylphenyl)piperidin-4-yl]methyl]-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;N-[[1-(4-chlorophenyl)piperidin-4-yl]methyl]-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;N-[[1-(4-ethoxyphenyl)piperidin-4-yl]methyl]-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;bis(N-[[1-(4-methylphenyl)piperidin-4-yl]methyl]-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide);4-[4-methyl-3-(trifluoromethyl)anilino]-N-[(1-phenylpiperidin-4-yl)methyl]cyclohexane-1-carboxamide.

What is the SMILES notation for N-[[1-(4-tert-butylphenyl)piperidin-4-yl]methyl]-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;N-[[1-(4-chlorophenyl)piperidin-4-yl]methyl]-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;N-[[1-(4-ethoxyphenyl)piperidin-4-yl]methyl]-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;bis(N-[[1-(4-methylphenyl)piperidin-4-yl]methyl]-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide);4-[4-methyl-3-(trifluoromethyl)anilino]-N-[(1-phenylpiperidin-4-yl)methyl]cyclohexane-1-carboxamide?

The canonical SMILES for N-[[1-(4-tert-butylphenyl)piperidin-4-yl]methyl]-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;N-[[1-(4-chlorophenyl)piperidin-4-yl]methyl]-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;N-[[1-(4-ethoxyphenyl)piperidin-4-yl]methyl]-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;bis(N-[[1-(4-methylphenyl)piperidin-4-yl]methyl]-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide);4-[4-methyl-3-(trifluoromethyl)anilino]-N-[(1-phenylpiperidin-4-yl)methyl]cyclohexane-1-carboxamide is CCOc1ccc(N2CCC(CNC(=O)C3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1.Cc1ccc(N2CCC(CNC(=O)C3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1.Cc1ccc(N2CCC(CNC(=O)C3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1.Cc1ccc(NC2CCC(C(=O)NCC3CCN(c4ccc(C(C)(C)C)cc4)CC3)CC2)cc1C(F)(F)F.Cc1ccc(NC2CCC(C(=O)NCC3CCN(c4ccc(Cl)cc4)CC3)CC2)cc1C(F)(F)F.Cc1ccc(NC2CCC(C(=O)NCC3CCN(c4ccccc4)CC3)CC2)cc1C(F)(F)F.

What is the InChIKey of N-[[1-(4-tert-butylphenyl)piperidin-4-yl]methyl]-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;N-[[1-(4-chlorophenyl)piperidin-4-yl]methyl]-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;N-[[1-(4-ethoxyphenyl)piperidin-4-yl]methyl]-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;bis(N-[[1-(4-methylphenyl)piperidin-4-yl]methyl]-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide);4-[4-methyl-3-(trifluoromethyl)anilino]-N-[(1-phenylpiperidin-4-yl)methyl]cyclohexane-1-carboxamide?

The InChIKey is KPUSKZAXEGZBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H42F3N3O.C29H38F3N3O2.2C28H36F3N3O.C27H33ClF3N3O.C27H34F3N3O/c1-21-5-10-26(19-28(21)31(32,33)34)36-25-11-6-23(7-12-25)29(38)35-20-22-15-17-37(18-16-22)27-13-8-24(9-14-27)30(2,3)4;1-3-37-26-12-10-25(11-13-26)35-16-14-21(15-17-35)19-33-28(36)22-5-8-23(9-6-22)34-24-7-4-20(2)27(18-24)29(30,31)32;2*1-19-3-11-25(12-4-19)34-15-13-21(14-16-34)18-32-27(35)22-6-9-23(10-7-22)33-24-8-5-20(2)26(17-24)28(29,30)31;1-18-2-7-23(16-25(18)27(29,30)31)33-22-8-3-20(4-9-22)26(35)32-17-19-12-14-34(15-13-19)24-10-5-21(28)6-11-24;1-19-7-10-23(17-25(19)27(28,29)30)32-22-11-8-21(9-12-22)26(34)31-18-20-13-15-33(16-14-20)24-5-3-2-4-6-24/h5,8-10,13-14,19,22-23,25,36H,6-7,11-12,15-18,20H2,1-4H3,(H,35,38);4,7,10-13,18,21-23,34H,3,5-6,8-9,14-17,19H2,1-2H3,(H,33,36);2*3-5,8,11-12,17,21-23,33H,6-7,9-10,13-16,18H2,1-2H3,(H,32,35);2,5-7,10-11,16,19-20,22,33H,3-4,8-9,12-15,17H2,1H3,(H,32,35);2-7,10,17,20-22,32H,8-9,11-16,18H2,1H3,(H,31,34).

What are the key properties of N-[[1-(4-tert-butylphenyl)piperidin-4-yl]methyl]-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;N-[[1-(4-chlorophenyl)piperidin-4-yl]methyl]-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;N-[[1-(4-ethoxyphenyl)piperidin-4-yl]methyl]-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;bis(N-[[1-(4-methylphenyl)piperidin-4-yl]methyl]-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide);4-[4-methyl-3-(trifluoromethyl)anilino]-N-[(1-phenylpiperidin-4-yl)methyl]cyclohexane-1-carboxamide?

N-[[1-(4-tert-butylphenyl)piperidin-4-yl]methyl]-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;N-[[1-(4-chlorophenyl)piperidin-4-yl]methyl]-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;N-[[1-(4-ethoxyphenyl)piperidin-4-yl]methyl]-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;bis(N-[[1-(4-methylphenyl)piperidin-4-yl]methyl]-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide);4-[4-methyl-3-(trifluoromethyl)anilino]-N-[(1-phenylpiperidin-4-yl)methyl]cyclohexane-1-carboxamide has a molecular weight of 3004.16 g/mol, XLogP of 39.07, 38 rotatable bonds, 12 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[1-(4-tert-butylphenyl)piperidin-4-yl]methyl]-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;N-[[1-(4-chlorophenyl)piperidin-4-yl]methyl]-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;N-[[1-(4-ethoxyphenyl)piperidin-4-yl]methyl]-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;bis(N-[[1-(4-methylphenyl)piperidin-4-yl]methyl]-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide);4-[4-methyl-3-(trifluoromethyl)anilino]-N-[(1-phenylpiperidin-4-yl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 159205349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).