N-[[1-(4-tert-butylphenyl)piperidin-4-yl]methyl]-N-methyl-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;N-[[1-(4-chlorophenyl)piperidin-4-yl]methyl]-N-methyl-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;N-[[1-(4-ethoxyphenyl)piperidin-4-yl]methyl]-N-methyl-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;N-methyl-N-[[1-(4-methylphenyl)piperidin-4-yl]methyl]-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;N-methyl-4-[4-methyl-3-(trifluoromethyl)anilino]-N-[(1-phenylpiperidin-4-yl)methyl]cyclohexane-1-carboxamide;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[(2-methyl-4-pyridinyl)amino]cyclohexyl]oxyethanone

C172H227ClF15N19O8 — CID 157282459

IUPACN-[[1-(4-tert-butylphenyl)piperidin-4-yl]methyl]-N-methyl-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;N-[[1-(4-chlorophenyl)piperidin-4-yl]methyl]-N-methyl-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;N-[[1-(4-ethoxyphenyl)piperidin-4-yl]methyl]-N-methyl-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;N-methyl-N-[[1-(4-methylphenyl)piperidin-4-yl]methyl]-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;N-methyl-4-[4-methyl-3-(trifluoromethyl)anilino]-N-[(1-phenylpiperidin-4-yl)methyl]cyclohexane-1-carboxamide;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[(2-methyl-4-pyridinyl)amino]cyclohexyl]oxyethanone
SMILESCCOc1ccc(N2CCC(CN(C)C(=O)C3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1.Cc1ccc(N2CCC(CN(C)C(=O)C3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1.Cc1ccc(N2CCN(C(=O)COC3CCC(Nc4ccnc(C)c4)CC3)CC2)cc1.Cc1ccc(NC2CCC(C(=O)N(C)CC3CCN(c4ccc(C(C)(C)C)cc4)CC3)CC2)cc1C(F)(F)F.Cc1ccc(NC2CCC(C(=O)N(C)CC3CCN(c4ccc(Cl)cc4)CC3)CC2)cc1C(F)(F)F.Cc1ccc(NC2CCC(C(=O)N(C)CC3CCN(c4ccccc4)CC3)CC2)cc1C(F)(F)F
InChIInChI=1S/C32H44F3N3O.C30H40F3N3O2.C29H38F3N3O.C28H35ClF3N3O.C28H36F3N3O.C25H34N4O2/c1-22-6-11-27(20-29(22)32(33,34)35)36-26-12-7-24(8-13-26)30(39)37(5)21-23-16-18-38(19-17-23)28-14-9-25(10-15-28)31(2,3)4;1-4-38-27-13-11-26(12-14-27)36-17-15-22(16-18-36)20-35(3)29(37)23-6-9-24(10-7-23)34-25-8-5-21(2)28(19-25)30(31,32)33;1-20-4-12-26(13-5-20)35-16-14-22(15-17-35)19-34(3)28(36)23-7-10-24(11-8-23)33-25-9-6-21(2)27(18-25)29(30,31)32;1-19-3-8-24(17-26(19)28(30,31)32)33-23-9-4-21(5-10-23)27(36)34(2)18-20-13-15-35(16-14-20)25-11-6-22(29)7-12-25;1-20-8-11-24(18-26(20)28(29,30)31)32-23-12-9-22(10-13-23)27(35)33(2)19-21-14-16-34(17-15-21)25-6-4-3-5-7-25;1-19-3-7-23(8-4-19)28-13-15-29(16-14-28)25(30)18-31-24-9-5-21(6-10-24)27-22-11-12-26-20(2)17-22/h6,9-11,14-15,20,23-24,26,36H,7-8,12-13,16-19,21H2,1-5H3;5,8,11-14,19,22-24,34H,4,6-7,9-10,15-18,20H2,1-3H3;4-6,9,12-13,18,22-24,33H,7-8,10-11,14-17,19H2,1-3H3;3,6-8,11-12,17,20-21,23,33H,4-5,9-10,13-16,18H2,1-2H3;3-8,11,18,21-23,32H,9-10,12-17,19H2,1-2H3;3-4,7-8,11-12,17,21,24H,5-6,9-10,13-16,18H2,1-2H3,(H,26,27)
InChIKeyAZVCCXGAJLAHTJ-UHFFFAOYSA-N
MW3009.26 g/mol
LogP38.24
Rot. Bonds38

About N-[[1-(4-tert-butylphenyl)piperidin-4-yl]methyl]-N-methyl-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;N-[[1-(4-chlorophenyl)piperidin-4-yl]methyl]-N-methyl-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;N-[[1-(4-ethoxyphenyl)piperidin-4-yl]methyl]-N-methyl-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;N-methyl-N-[[1-(4-methylphenyl)piperidin-4-yl]methyl]-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;N-methyl-4-[4-methyl-3-(trifluoromethyl)anilino]-N-[(1-phenylpiperidin-4-yl)methyl]cyclohexane-1-carboxamide;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[(2-methyl-4-pyridinyl)amino]cyclohexyl]oxyethanone

N-[[1-(4-tert-butylphenyl)piperidin-4-yl]methyl]-N-methyl-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;N-[[1-(4-chlorophenyl)piperidin-4-yl]methyl]-N-methyl-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;N-[[1-(4-ethoxyphenyl)piperidin-4-yl]methyl]-N-methyl-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;N-methyl-N-[[1-(4-methylphenyl)piperidin-4-yl]methyl]-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;N-methyl-4-[4-methyl-3-(trifluoromethyl)anilino]-N-[(1-phenylpiperidin-4-yl)methyl]cyclohexane-1-carboxamide;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[(2-methyl-4-pyridinyl)amino]cyclohexyl]oxyethanone (PubChem CID 157282459) has the molecular formula C172H227ClF15N19O8 and a molecular weight of 3009.26 g/mol. Its IUPAC name is N-[[1-(4-tert-butylphenyl)piperidin-4-yl]methyl]-N-methyl-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;N-[[1-(4-chlorophenyl)piperidin-4-yl]methyl]-N-methyl-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;N-[[1-(4-ethoxyphenyl)piperidin-4-yl]methyl]-N-methyl-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;N-methyl-N-[[1-(4-methylphenyl)piperidin-4-yl]methyl]-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;N-methyl-4-[4-methyl-3-(trifluoromethyl)anilino]-N-[(1-phenylpiperidin-4-yl)methyl]cyclohexane-1-carboxamide;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[(2-methyl-4-pyridinyl)amino]cyclohexyl]oxyethanone.

Molecular Properties

Compound NameN-[[1-(4-tert-butylphenyl)piperidin-4-yl]methyl]-N-methyl-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;N-[[1-(4-chlorophenyl)piperidin-4-yl]methyl]-N-methyl-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;N-[[1-(4-ethoxyphenyl)piperidin-4-yl]methyl]-N-methyl-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;N-methyl-N-[[1-(4-methylphenyl)piperidin-4-yl]methyl]-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;N-methyl-4-[4-methyl-3-(trifluoromethyl)anilino]-N-[(1-phenylpiperidin-4-yl)methyl]cyclohexane-1-carboxamide;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[(2-methyl-4-pyridinyl)amino]cyclohexyl]oxyethanone
PubChem CID157282459
Molecular FormulaC172H227ClF15N19O8
Molecular Weight3009.26 g/mol
Exact Mass3006.74
IUPAC NameN-[[1-(4-tert-butylphenyl)piperidin-4-yl]methyl]-N-methyl-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;N-[[1-(4-chlorophenyl)piperidin-4-yl]methyl]-N-methyl-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;N-[[1-(4-ethoxyphenyl)piperidin-4-yl]methyl]-N-methyl-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;N-methyl-N-[[1-(4-methylphenyl)piperidin-4-yl]methyl]-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;N-methyl-4-[4-methyl-3-(trifluoromethyl)anilino]-N-[(1-phenylpiperidin-4-yl)methyl]cyclohexane-1-carboxamide;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[(2-methyl-4-pyridinyl)amino]cyclohexyl]oxyethanone
SMILESCCOc1ccc(N2CCC(CN(C)C(=O)C3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1.Cc1ccc(N2CCC(CN(C)C(=O)C3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1.Cc1ccc(N2CCN(C(=O)COC3CCC(Nc4ccnc(C)c4)CC3)CC2)cc1.Cc1ccc(NC2CCC(C(=O)N(C)CC3CCN(c4ccc(C(C)(C)C)cc4)CC3)CC2)cc1C(F)(F)F.Cc1ccc(NC2CCC(C(=O)N(C)CC3CCN(c4ccc(Cl)cc4)CC3)CC2)cc1C(F)(F)F.Cc1ccc(NC2CCC(C(=O)N(C)CC3CCN(c4ccccc4)CC3)CC2)cc1C(F)(F)F
InChIInChI=1S/C32H44F3N3O.C30H40F3N3O2.C29H38F3N3O.C28H35ClF3N3O.C28H36F3N3O.C25H34N4O2/c1-22-6-11-27(20-29(22)32(33,34)35)36-26-12-7-24(8-13-26)30(39)37(5)21-23-16-18-38(19-17-23)28-14-9-25(10-15-28)31(2,3)4;1-4-38-27-13-11-26(12-14-27)36-17-15-22(16-18-36)20-35(3)29(37)23-6-9-24(10-7-23)34-25-8-5-21(2)28(19-25)30(31,32)33;1-20-4-12-26(13-5-20)35-16-14-22(15-17-35)19-34(3)28(36)23-7-10-24(11-8-23)33-25-9-6-21(2)27(18-25)29(30,31)32;1-19-3-8-24(17-26(19)28(30,31)32)33-23-9-4-21(5-10-23)27(36)34(2)18-20-13-15-35(16-14-20)25-11-6-22(29)7-12-25;1-20-8-11-24(18-26(20)28(29,30)31)32-23-12-9-22(10-13-23)27(35)33(2)19-21-14-16-34(17-15-21)25-6-4-3-5-7-25;1-19-3-7-23(8-4-19)28-13-15-29(16-14-28)25(30)18-31-24-9-5-21(6-10-24)27-22-11-12-26-20(2)17-22/h6,9-11,14-15,20,23-24,26,36H,7-8,12-13,16-19,21H2,1-5H3;5,8,11-14,19,22-24,34H,4,6-7,9-10,15-18,20H2,1-3H3;4-6,9,12-13,18,22-24,33H,7-8,10-11,14-17,19H2,1-3H3;3,6-8,11-12,17,20-21,23,33H,4-5,9-10,13-16,18H2,1-2H3;3-8,11,18,21-23,32H,9-10,12-17,19H2,1-2H3;3-4,7-8,11-12,17,21,24H,5-6,9-10,13-16,18H2,1-2H3,(H,26,27)
InChIKeyAZVCCXGAJLAHTJ-UHFFFAOYSA-N
XLogP38.24
TPSA244.83 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds38
Heavy Atoms215
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003009.26
LogP ≤ 538.24
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

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'}

Analyze N-[[1-(4-tert-butylphenyl)piperidin-4-yl]methyl]-N-methyl-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;N-[[1-(4-chlorophenyl)piperidin-4-yl]methyl]-N-methyl-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;N-[[1-(4-ethoxyphenyl)piperidin-4-yl]methyl]-N-methyl-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;N-methyl-N-[[1-(4-methylphenyl)piperidin-4-yl]methyl]-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;N-methyl-4-[4-methyl-3-(trifluoromethyl)anilino]-N-[(1-phenylpiperidin-4-yl)methyl]cyclohexane-1-carboxamide;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[(2-methyl-4-pyridinyl)amino]cyclohexyl]oxyethanone with MolForge

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Related Compounds

1-[4-(buta-1,3-dien-2-ylamino)piperidin-1-yl]-3-[4-(4-chlorophenyl)piperazin-1-yl]-2-methylpropan-1-one;1-[4-[(5,6-dimethyl-2-pyridinyl)amino]piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butan-1-one;N-[[1-(4-ethoxyphenyl)piperidin-4-yl]methyl]-N-methyl-4-[4-methyl-3-(trifluoromethyl)anilino]piperidine-1-carboxamide;bis(1-[4-(methylamino)piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butan-1-one);4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[(6-methyl-3-pyridinyl)amino]piperidin-1-yl]butan-1-one
CID 158952067
4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4,6-dimethyl-3-pyridinyl)methyl]-2-methylbicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-fluoro-3-pyridinyl)methyl]-2-methylbicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]bicyclo[2.2.2]octane-1-carboxamide
CID 160382476
CID 160481940
CID 160481940
4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[3-hydroxy-2-(methylideneamino)prop-2-enyl]-2-methylbicyclo[2.2.2]octane-1-carboxamide;(2S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]bicyclo[2.2.2]octane-1-carboxamide;(2R)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]bicyclo[2.2.2]octane-1-carboxamide
CID 162295121
4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-cyano-2-pyridinyl)methyl]-2-methylbicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(4-methyl-2-pyridinyl)methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-[(5-methyl-2-pyridinyl)methyl]bicyclo[2.2.2]octane-1-carboxamide;4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-N-(pyrazin-2-ylmethyl)bicyclo[2.2.2]octane-1-carboxamide
CID 158023634
N-benzyl-N,1-dimethylpiperidine-4-carboxamide;N-benzyl-1-methylpiperidine-4-carboxamide;(4-chlorophenyl)-(1-methylpiperidin-4-yl)methanone;N,1-dimethyl-N-phenylpiperidine-4-carboxamide;1-(4-ethoxyphenyl)-4-methylpiperazine;1-methyl-N-phenylpiperidine-4-carboxamide;N-(1-methylpiperidin-4-yl)benzamide;N-(1-methylpiperidin-4-yl)-2-phenylacetamide;(1-methyl-4-pyridin-3-ylpiperidin-4-yl)-morpholin-4-ylmethanone;(1-methyl-4-pyridin-4-ylpiperidin-4-yl)-morpholin-4-ylmethanone;toluene
CID 158108688

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-tert-butylphenyl)piperidin-4-yl]methyl]-N-methyl-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;N-[[1-(4-chlorophenyl)piperidin-4-yl]methyl]-N-methyl-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;N-[[1-(4-ethoxyphenyl)piperidin-4-yl]methyl]-N-methyl-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;N-methyl-N-[[1-(4-methylphenyl)piperidin-4-yl]methyl]-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;N-methyl-4-[4-methyl-3-(trifluoromethyl)anilino]-N-[(1-phenylpiperidin-4-yl)methyl]cyclohexane-1-carboxamide;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[(2-methyl-4-pyridinyl)amino]cyclohexyl]oxyethanone?
The IUPAC name of N-[[1-(4-tert-butylphenyl)piperidin-4-yl]methyl]-N-methyl-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;N-[[1-(4-chlorophenyl)piperidin-4-yl]methyl]-N-methyl-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;N-[[1-(4-ethoxyphenyl)piperidin-4-yl]methyl]-N-methyl-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;N-methyl-N-[[1-(4-methylphenyl)piperidin-4-yl]methyl]-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;N-methyl-4-[4-methyl-3-(trifluoromethyl)anilino]-N-[(1-phenylpiperidin-4-yl)methyl]cyclohexane-1-carboxamide;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[(2-methyl-4-pyridinyl)amino]cyclohexyl]oxyethanone (CID 157282459) is N-[[1-(4-tert-butylphenyl)piperidin-4-yl]methyl]-N-methyl-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;N-[[1-(4-chlorophenyl)piperidin-4-yl]methyl]-N-methyl-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;N-[[1-(4-ethoxyphenyl)piperidin-4-yl]methyl]-N-methyl-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;N-methyl-N-[[1-(4-methylphenyl)piperidin-4-yl]methyl]-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;N-methyl-4-[4-methyl-3-(trifluoromethyl)anilino]-N-[(1-phenylpiperidin-4-yl)methyl]cyclohexane-1-carboxamide;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[(2-methyl-4-pyridinyl)amino]cyclohexyl]oxyethanone.
What is the SMILES notation for N-[[1-(4-tert-butylphenyl)piperidin-4-yl]methyl]-N-methyl-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;N-[[1-(4-chlorophenyl)piperidin-4-yl]methyl]-N-methyl-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;N-[[1-(4-ethoxyphenyl)piperidin-4-yl]methyl]-N-methyl-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;N-methyl-N-[[1-(4-methylphenyl)piperidin-4-yl]methyl]-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;N-methyl-4-[4-methyl-3-(trifluoromethyl)anilino]-N-[(1-phenylpiperidin-4-yl)methyl]cyclohexane-1-carboxamide;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[(2-methyl-4-pyridinyl)amino]cyclohexyl]oxyethanone?
The canonical SMILES for N-[[1-(4-tert-butylphenyl)piperidin-4-yl]methyl]-N-methyl-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;N-[[1-(4-chlorophenyl)piperidin-4-yl]methyl]-N-methyl-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;N-[[1-(4-ethoxyphenyl)piperidin-4-yl]methyl]-N-methyl-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;N-methyl-N-[[1-(4-methylphenyl)piperidin-4-yl]methyl]-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;N-methyl-4-[4-methyl-3-(trifluoromethyl)anilino]-N-[(1-phenylpiperidin-4-yl)methyl]cyclohexane-1-carboxamide;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[(2-methyl-4-pyridinyl)amino]cyclohexyl]oxyethanone is CCOc1ccc(N2CCC(CN(C)C(=O)C3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1.Cc1ccc(N2CCC(CN(C)C(=O)C3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1.Cc1ccc(N2CCN(C(=O)COC3CCC(Nc4ccnc(C)c4)CC3)CC2)cc1.Cc1ccc(NC2CCC(C(=O)N(C)CC3CCN(c4ccc(C(C)(C)C)cc4)CC3)CC2)cc1C(F)(F)F.Cc1ccc(NC2CCC(C(=O)N(C)CC3CCN(c4ccc(Cl)cc4)CC3)CC2)cc1C(F)(F)F.Cc1ccc(NC2CCC(C(=O)N(C)CC3CCN(c4ccccc4)CC3)CC2)cc1C(F)(F)F.
What is the InChIKey of N-[[1-(4-tert-butylphenyl)piperidin-4-yl]methyl]-N-methyl-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;N-[[1-(4-chlorophenyl)piperidin-4-yl]methyl]-N-methyl-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;N-[[1-(4-ethoxyphenyl)piperidin-4-yl]methyl]-N-methyl-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;N-methyl-N-[[1-(4-methylphenyl)piperidin-4-yl]methyl]-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;N-methyl-4-[4-methyl-3-(trifluoromethyl)anilino]-N-[(1-phenylpiperidin-4-yl)methyl]cyclohexane-1-carboxamide;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[(2-methyl-4-pyridinyl)amino]cyclohexyl]oxyethanone?
The InChIKey is AZVCCXGAJLAHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H44F3N3O.C30H40F3N3O2.C29H38F3N3O.C28H35ClF3N3O.C28H36F3N3O.C25H34N4O2/c1-22-6-11-27(20-29(22)32(33,34)35)36-26-12-7-24(8-13-26)30(39)37(5)21-23-16-18-38(19-17-23)28-14-9-25(10-15-28)31(2,3)4;1-4-38-27-13-11-26(12-14-27)36-17-15-22(16-18-36)20-35(3)29(37)23-6-9-24(10-7-23)34-25-8-5-21(2)28(19-25)30(31,32)33;1-20-4-12-26(13-5-20)35-16-14-22(15-17-35)19-34(3)28(36)23-7-10-24(11-8-23)33-25-9-6-21(2)27(18-25)29(30,31)32;1-19-3-8-24(17-26(19)28(30,31)32)33-23-9-4-21(5-10-23)27(36)34(2)18-20-13-15-35(16-14-20)25-11-6-22(29)7-12-25;1-20-8-11-24(18-26(20)28(29,30)31)32-23-12-9-22(10-13-23)27(35)33(2)19-21-14-16-34(17-15-21)25-6-4-3-5-7-25;1-19-3-7-23(8-4-19)28-13-15-29(16-14-28)25(30)18-31-24-9-5-21(6-10-24)27-22-11-12-26-20(2)17-22/h6,9-11,14-15,20,23-24,26,36H,7-8,12-13,16-19,21H2,1-5H3;5,8,11-14,19,22-24,34H,4,6-7,9-10,15-18,20H2,1-3H3;4-6,9,12-13,18,22-24,33H,7-8,10-11,14-17,19H2,1-3H3;3,6-8,11-12,17,20-21,23,33H,4-5,9-10,13-16,18H2,1-2H3;3-8,11,18,21-23,32H,9-10,12-17,19H2,1-2H3;3-4,7-8,11-12,17,21,24H,5-6,9-10,13-16,18H2,1-2H3,(H,26,27).
What are the key properties of N-[[1-(4-tert-butylphenyl)piperidin-4-yl]methyl]-N-methyl-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;N-[[1-(4-chlorophenyl)piperidin-4-yl]methyl]-N-methyl-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;N-[[1-(4-ethoxyphenyl)piperidin-4-yl]methyl]-N-methyl-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;N-methyl-N-[[1-(4-methylphenyl)piperidin-4-yl]methyl]-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;N-methyl-4-[4-methyl-3-(trifluoromethyl)anilino]-N-[(1-phenylpiperidin-4-yl)methyl]cyclohexane-1-carboxamide;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[(2-methyl-4-pyridinyl)amino]cyclohexyl]oxyethanone?
N-[[1-(4-tert-butylphenyl)piperidin-4-yl]methyl]-N-methyl-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;N-[[1-(4-chlorophenyl)piperidin-4-yl]methyl]-N-methyl-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;N-[[1-(4-ethoxyphenyl)piperidin-4-yl]methyl]-N-methyl-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;N-methyl-N-[[1-(4-methylphenyl)piperidin-4-yl]methyl]-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;N-methyl-4-[4-methyl-3-(trifluoromethyl)anilino]-N-[(1-phenylpiperidin-4-yl)methyl]cyclohexane-1-carboxamide;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[(2-methyl-4-pyridinyl)amino]cyclohexyl]oxyethanone has a molecular weight of 3009.26 g/mol, XLogP of 38.24, 38 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-tert-butylphenyl)piperidin-4-yl]methyl]-N-methyl-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;N-[[1-(4-chlorophenyl)piperidin-4-yl]methyl]-N-methyl-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;N-[[1-(4-ethoxyphenyl)piperidin-4-yl]methyl]-N-methyl-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;N-methyl-N-[[1-(4-methylphenyl)piperidin-4-yl]methyl]-4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexane-1-carboxamide;N-methyl-4-[4-methyl-3-(trifluoromethyl)anilino]-N-[(1-phenylpiperidin-4-yl)methyl]cyclohexane-1-carboxamide;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[(2-methyl-4-pyridinyl)amino]cyclohexyl]oxyethanone is sourced from PubChem (CID 157282459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).