4-[4-(4-tert-butylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]butan-1-one;3-[4-(4-tert-butylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]butan-1-one;1-[4-(4-methylphenyl)piperazin-1-yl]-3-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propane-1,3-dione;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)phenoxy]piperidin-1-yl]butan-1-one;3-[4-(4-methylphenyl)piperidin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one

C172H226F18N22O8 — CID 158531766

IUPAC4-[4-(4-tert-butylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]butan-1-one;3-[4-(4-tert-butylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]butan-1-one;1-[4-(4-methylphenyl)piperazin-1-yl]-3-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propane-1,3-dione;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)phenoxy]piperidin-1-yl]butan-1-one;3-[4-(4-methylphenyl)piperidin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one
SMILESCc1ccc(C2CCN(CCC(=O)N3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1.Cc1ccc(N2CCN(C(=O)CC(=O)N3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1.Cc1ccc(N2CCN(CCCC(=O)N3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1.Cc1ccc(N2CCN(CCCC(=O)N3CCC(Oc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1.Cc1ccc(NC2CCN(C(=O)CCCN3CCN(c4ccc(C(C)(C)C)cc4)CC3)CC2)cc1C(F)(F)F.Cc1ccc(NC2CCN(C(=O)CCN3CCN(c4ccc(C(C)(C)C)cc4)CC3)CC2)cc1C(F)(F)F
InChIInChI=1S/C31H43F3N4O.C30H41F3N4O.C28H37F3N4O.C28H36F3N3O2.C28H36F3N3O.C27H33F3N4O2/c1-23-7-10-26(22-28(23)31(32,33)34)35-25-13-16-38(17-14-25)29(39)6-5-15-36-18-20-37(21-19-36)27-11-8-24(9-12-27)30(2,3)4;1-22-5-8-25(21-27(22)30(31,32)33)34-24-11-15-37(16-12-24)28(38)13-14-35-17-19-36(20-18-35)26-9-6-23(7-10-26)29(2,3)4;1-21-5-9-25(10-6-21)34-18-16-33(17-19-34)13-3-4-27(36)35-14-11-23(12-15-35)32-24-8-7-22(2)26(20-24)28(29,30)31;1-21-5-8-23(9-6-21)33-18-16-32(17-19-33)13-3-4-27(35)34-14-11-24(12-15-34)36-25-10-7-22(2)26(20-25)28(29,30)31;1-20-3-6-22(7-4-20)23-9-14-33(15-10-23)16-13-27(35)34-17-11-24(12-18-34)32-25-8-5-21(2)26(19-25)28(29,30)31;1-19-3-7-23(8-4-19)32-13-15-34(16-14-32)26(36)18-25(35)33-11-9-21(10-12-33)31-22-6-5-20(2)24(17-22)27(28,29)30/h7-12,22,25,35H,5-6,13-21H2,1-4H3;5-10,21,24,34H,11-20H2,1-4H3;5-10,20,23,32H,3-4,11-19H2,1-2H3;5-10,20,24H,3-4,11-19H2,1-2H3;3-8,19,23-24,32H,9-18H2,1-2H3;3-8,17,21,31H,9-16,18H2,1-2H3
InChIKeyHNLOWCAHJZNWRT-UHFFFAOYSA-N
MW3071.81 g/mol
LogP33.32
Rot. Bonds38

About 4-[4-(4-tert-butylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]butan-1-one;3-[4-(4-tert-butylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]butan-1-one;1-[4-(4-methylphenyl)piperazin-1-yl]-3-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propane-1,3-dione;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)phenoxy]piperidin-1-yl]butan-1-one;3-[4-(4-methylphenyl)piperidin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one

4-[4-(4-tert-butylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]butan-1-one;3-[4-(4-tert-butylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]butan-1-one;1-[4-(4-methylphenyl)piperazin-1-yl]-3-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propane-1,3-dione;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)phenoxy]piperidin-1-yl]butan-1-one;3-[4-(4-methylphenyl)piperidin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one (PubChem CID 158531766) has the molecular formula C172H226F18N22O8 and a molecular weight of 3071.81 g/mol. Its IUPAC name is 4-[4-(4-tert-butylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]butan-1-one;3-[4-(4-tert-butylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]butan-1-one;1-[4-(4-methylphenyl)piperazin-1-yl]-3-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propane-1,3-dione;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)phenoxy]piperidin-1-yl]butan-1-one;3-[4-(4-methylphenyl)piperidin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name4-[4-(4-tert-butylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]butan-1-one;3-[4-(4-tert-butylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]butan-1-one;1-[4-(4-methylphenyl)piperazin-1-yl]-3-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propane-1,3-dione;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)phenoxy]piperidin-1-yl]butan-1-one;3-[4-(4-methylphenyl)piperidin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one
PubChem CID158531766
Molecular FormulaC172H226F18N22O8
Molecular Weight3071.81 g/mol
Exact Mass3069.77
IUPAC Name4-[4-(4-tert-butylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]butan-1-one;3-[4-(4-tert-butylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]butan-1-one;1-[4-(4-methylphenyl)piperazin-1-yl]-3-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propane-1,3-dione;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)phenoxy]piperidin-1-yl]butan-1-one;3-[4-(4-methylphenyl)piperidin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one
SMILESCc1ccc(C2CCN(CCC(=O)N3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1.Cc1ccc(N2CCN(C(=O)CC(=O)N3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1.Cc1ccc(N2CCN(CCCC(=O)N3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1.Cc1ccc(N2CCN(CCCC(=O)N3CCC(Oc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1.Cc1ccc(NC2CCN(C(=O)CCCN3CCN(c4ccc(C(C)(C)C)cc4)CC3)CC2)cc1C(F)(F)F.Cc1ccc(NC2CCN(C(=O)CCN3CCN(c4ccc(C(C)(C)C)cc4)CC3)CC2)cc1C(F)(F)F
InChIInChI=1S/C31H43F3N4O.C30H41F3N4O.C28H37F3N4O.C28H36F3N3O2.C28H36F3N3O.C27H33F3N4O2/c1-23-7-10-26(22-28(23)31(32,33)34)35-25-13-16-38(17-14-25)29(39)6-5-15-36-18-20-37(21-19-36)27-11-8-24(9-12-27)30(2,3)4;1-22-5-8-25(21-27(22)30(31,32)33)34-24-11-15-37(16-12-24)28(38)13-14-35-17-19-36(20-18-35)26-9-6-23(7-10-26)29(2,3)4;1-21-5-9-25(10-6-21)34-18-16-33(17-19-34)13-3-4-27(36)35-14-11-23(12-15-35)32-24-8-7-22(2)26(20-24)28(29,30)31;1-21-5-8-23(9-6-21)33-18-16-32(17-19-33)13-3-4-27(35)34-14-11-24(12-15-34)36-25-10-7-22(2)26(20-25)28(29,30)31;1-20-3-6-22(7-4-20)23-9-14-33(15-10-23)16-13-27(35)34-17-11-24(12-18-34)32-25-8-5-21(2)26(19-25)28(29,30)31;1-19-3-7-23(8-4-19)32-13-15-34(16-14-32)26(36)18-25(35)33-11-9-21(10-12-33)31-22-6-5-20(2)24(17-22)27(28,29)30/h7-12,22,25,35H,5-6,13-21H2,1-4H3;5-10,21,24,34H,11-20H2,1-4H3;5-10,20,23,32H,3-4,11-19H2,1-2H3;5-10,20,24H,3-4,11-19H2,1-2H3;3-8,19,23-24,32H,9-18H2,1-2H3;3-8,17,21,31H,9-16,18H2,1-2H3
InChIKeyHNLOWCAHJZNWRT-UHFFFAOYSA-N
XLogP33.32
TPSA243.95 Ų
H-Bond Donors5
H-Bond Acceptors23
Rotatable Bonds38
Heavy Atoms220
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003071.81
LogP ≤ 533.32
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 4-[4-(4-tert-butylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]butan-1-one;3-[4-(4-tert-butylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]butan-1-one;1-[4-(4-methylphenyl)piperazin-1-yl]-3-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propane-1,3-dione;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)phenoxy]piperidin-1-yl]butan-1-one;3-[4-(4-methylphenyl)piperidin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one with MolForge

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Related Compounds

2-[4-(2,4-Dimethylanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;2-[4-(3,4-dimethylanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;2-methyl-5-[[4-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]benzonitrile;5-methyl-2-[[4-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]benzonitrile;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-2-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)phenoxy]cyclohexyl]oxyethanone
CID 157085086
acetic acid;1-[4-(buta-1,3-dien-2-ylamino)piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butan-1-one;N-ethyl-3-[4-[4-[(4-methylphenyl)methoxy]phenyl]piperazin-1-yl]-N-propylpropanamide;N-ethyl-3-[4-[4-[(4-methylphenyl)methoxy]phenyl]piperidin-1-yl]-N-propylpropanamide;3-[4-[(4-methylphenyl)methoxy]piperidin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;2-[1-(4-methylphenyl)piperidin-4-yl]oxy-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]ethanone;1-[4-[4-methyl-3-(trifluoromethyl)phenoxy]piperidin-1-yl]-3-[4-(4-phenoxyphenyl)piperidin-1-yl]propan-1-one
CID 157295613
1-[4-(4-Tert-butylphenyl)piperazin-1-yl]-2-[4-(2,4-dimethylanilino)cyclohexyl]oxyethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-[4-methyl-2-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[[4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-5-methylbenzonitrile;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)phenoxy]cyclohexyl]oxyethanone
CID 157661996
N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-4-aminobutanamide;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-4-(dimethylamino)butanamide;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-(dimethylamino)propanamide;1-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-4-(4-methoxyphenyl)-N,N-dimethylpiperidin-4-amine;methane
CID 158050453
5-(5-Tert-butyl-2-methoxyanilino)-6-methylidenepiperidin-2-one;5-[3-methoxy-5-(trifluoromethyl)anilino]-6-methylidenepiperidin-2-one;5-(4-methylanilino)-6-methylidenepiperidin-2-one;6-methylidene-5-[4-(morpholin-4-ylmethyl)anilino]piperidin-2-one;6-methylidene-5-(3-phenoxyanilino)piperidin-2-one;6-methylidene-5-(4-phenoxyanilino)piperidin-2-one;6-methylidene-5-(3-propoxyanilino)piperidin-2-one
CID 158508455
N-[1-[4-[4-(4-cyclobutyloxyphenyl)piperidin-1-yl]-2-fluorophenyl]ethyl]acetamide;N-[(1S)-1-[4-[4-(4-ethoxyphenyl)piperidin-1-yl]phenyl]ethyl]-2,2-difluoropropanamide;N-[1-[2-fluoro-4-[4-(2-methyl-4-propoxyphenyl)piperidin-1-yl]phenyl]ethyl]acetamide;N-[1-[2-fluoro-4-[4-(4-propoxyphenyl)piperidin-1-yl]phenyl]ethyl]acetamide;N-[1-[3-fluoro-4-[4-(4-propoxyphenyl)piperidin-1-yl]phenyl]ethyl]acetamide
CID 159241917
methane;2-methyl-3-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;(2S)-2-methyl-1-[4-[4-nitro-3-(trifluoromethyl)anilino]piperidin-1-yl]-3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one;1-[4-[4-methyl-3-(trifluoromethyl)phenoxy]piperidin-1-yl]-3-[4-(4-phenoxyphenyl)piperidin-1-yl]propan-1-one
CID 159318732
N-[4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethoxy]cyclohexyl]-4-methyl-3-(trifluoromethyl)aniline;1-[4-(4-chlorophenyl)piperidin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(4-methoxyphenyl)piperidin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-methyl-1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxypropan-1-one;1-[4-(4-methylphenyl)piperidin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-phenoxyphenyl)piperidin-1-yl]ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-phenylphenyl)piperidin-1-yl]ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-propylphenyl)piperidin-1-yl]ethanone
CID 160021707
2-[4-[N,4-dimethyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone;1-[4-(4-methoxyphenyl)piperidin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-methyl-1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxypropan-1-one;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxypropan-1-one;1-[4-(4-methylphenyl)piperidin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone
CID 160323685
2-[4-[3,4-Dimethyl-5-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-methyl-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)propan-1-one;4-[2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyacetyl]-1-phenylpiperazin-2-one;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanethione;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-[4-methyl-3-(trifluoromethyl)phenoxy]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone
CID 161084950
N-[(1S)-1-[4-[4-(4-cyclobutyloxyphenyl)piperidin-1-yl]phenyl]ethyl]acetamide;3-[(1S)-1-[4-[4-(4-cyclobutyloxyphenyl)piperidin-1-yl]phenyl]ethyl]-1,1-dimethylurea;N-[1-[4-[4-[4-(cyclopropylmethoxy)-2-fluorophenyl]piperidin-1-yl]-3-fluorophenyl]ethyl]acetamide;N-[(1S)-1-[4-[4-[4-(cyclopropylmethoxy)-2-fluorophenyl]piperidin-1-yl]phenyl]ethyl]acetamide;N-[(1S)-1-[4-[4-[4-(cyclopropylmethoxy)phenyl]piperidin-1-yl]phenyl]ethyl]acetamide;N-[(1S)-1-[4-[4-[4-[(2,2-difluorocyclopropyl)methoxy]phenyl]piperidin-1-yl]phenyl]ethyl]acetamide;N-[1-[3-fluoro-4-[4-(2-methyl-4-propoxyphenyl)piperidin-1-yl]phenyl]ethyl]acetamide;N-[(1S)-1-[4-[4-(2-methyl-4-propoxyphenyl)piperidin-1-yl]phenyl]ethyl]acetamide;N-[(1S)-1-[4-[4-(4-propan-2-yloxyphenyl)piperidin-1-yl]phenyl]ethyl]acetamide;N-[(1S)-1-[4-[4-(4-propoxyphenyl)piperidin-1-yl]phenyl]ethyl]acetamide
CID 161136595
N-[4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethoxy]cyclohexyl]-4-methyl-3-(trifluoromethyl)aniline;1-[4-(4-chlorophenyl)piperidin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-phenoxyphenyl)piperidin-1-yl]ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-phenylphenyl)piperidin-1-yl]ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-propylphenyl)piperidin-1-yl]ethanone
CID 161617686

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-tert-butylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]butan-1-one;3-[4-(4-tert-butylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]butan-1-one;1-[4-(4-methylphenyl)piperazin-1-yl]-3-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propane-1,3-dione;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)phenoxy]piperidin-1-yl]butan-1-one;3-[4-(4-methylphenyl)piperidin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one?
The IUPAC name of 4-[4-(4-tert-butylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]butan-1-one;3-[4-(4-tert-butylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]butan-1-one;1-[4-(4-methylphenyl)piperazin-1-yl]-3-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propane-1,3-dione;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)phenoxy]piperidin-1-yl]butan-1-one;3-[4-(4-methylphenyl)piperidin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one (CID 158531766) is 4-[4-(4-tert-butylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]butan-1-one;3-[4-(4-tert-butylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]butan-1-one;1-[4-(4-methylphenyl)piperazin-1-yl]-3-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propane-1,3-dione;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)phenoxy]piperidin-1-yl]butan-1-one;3-[4-(4-methylphenyl)piperidin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 4-[4-(4-tert-butylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]butan-1-one;3-[4-(4-tert-butylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]butan-1-one;1-[4-(4-methylphenyl)piperazin-1-yl]-3-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propane-1,3-dione;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)phenoxy]piperidin-1-yl]butan-1-one;3-[4-(4-methylphenyl)piperidin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one?
The canonical SMILES for 4-[4-(4-tert-butylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]butan-1-one;3-[4-(4-tert-butylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]butan-1-one;1-[4-(4-methylphenyl)piperazin-1-yl]-3-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propane-1,3-dione;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)phenoxy]piperidin-1-yl]butan-1-one;3-[4-(4-methylphenyl)piperidin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one is Cc1ccc(C2CCN(CCC(=O)N3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1.Cc1ccc(N2CCN(C(=O)CC(=O)N3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1.Cc1ccc(N2CCN(CCCC(=O)N3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1.Cc1ccc(N2CCN(CCCC(=O)N3CCC(Oc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1.Cc1ccc(NC2CCN(C(=O)CCCN3CCN(c4ccc(C(C)(C)C)cc4)CC3)CC2)cc1C(F)(F)F.Cc1ccc(NC2CCN(C(=O)CCN3CCN(c4ccc(C(C)(C)C)cc4)CC3)CC2)cc1C(F)(F)F.
What is the InChIKey of 4-[4-(4-tert-butylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]butan-1-one;3-[4-(4-tert-butylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]butan-1-one;1-[4-(4-methylphenyl)piperazin-1-yl]-3-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propane-1,3-dione;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)phenoxy]piperidin-1-yl]butan-1-one;3-[4-(4-methylphenyl)piperidin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one?
The InChIKey is HNLOWCAHJZNWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H43F3N4O.C30H41F3N4O.C28H37F3N4O.C28H36F3N3O2.C28H36F3N3O.C27H33F3N4O2/c1-23-7-10-26(22-28(23)31(32,33)34)35-25-13-16-38(17-14-25)29(39)6-5-15-36-18-20-37(21-19-36)27-11-8-24(9-12-27)30(2,3)4;1-22-5-8-25(21-27(22)30(31,32)33)34-24-11-15-37(16-12-24)28(38)13-14-35-17-19-36(20-18-35)26-9-6-23(7-10-26)29(2,3)4;1-21-5-9-25(10-6-21)34-18-16-33(17-19-34)13-3-4-27(36)35-14-11-23(12-15-35)32-24-8-7-22(2)26(20-24)28(29,30)31;1-21-5-8-23(9-6-21)33-18-16-32(17-19-33)13-3-4-27(35)34-14-11-24(12-15-34)36-25-10-7-22(2)26(20-25)28(29,30)31;1-20-3-6-22(7-4-20)23-9-14-33(15-10-23)16-13-27(35)34-17-11-24(12-18-34)32-25-8-5-21(2)26(19-25)28(29,30)31;1-19-3-7-23(8-4-19)32-13-15-34(16-14-32)26(36)18-25(35)33-11-9-21(10-12-33)31-22-6-5-20(2)24(17-22)27(28,29)30/h7-12,22,25,35H,5-6,13-21H2,1-4H3;5-10,21,24,34H,11-20H2,1-4H3;5-10,20,23,32H,3-4,11-19H2,1-2H3;5-10,20,24H,3-4,11-19H2,1-2H3;3-8,19,23-24,32H,9-18H2,1-2H3;3-8,17,21,31H,9-16,18H2,1-2H3.
What are the key properties of 4-[4-(4-tert-butylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]butan-1-one;3-[4-(4-tert-butylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]butan-1-one;1-[4-(4-methylphenyl)piperazin-1-yl]-3-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propane-1,3-dione;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)phenoxy]piperidin-1-yl]butan-1-one;3-[4-(4-methylphenyl)piperidin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one?
4-[4-(4-tert-butylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]butan-1-one;3-[4-(4-tert-butylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]butan-1-one;1-[4-(4-methylphenyl)piperazin-1-yl]-3-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propane-1,3-dione;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)phenoxy]piperidin-1-yl]butan-1-one;3-[4-(4-methylphenyl)piperidin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one has a molecular weight of 3071.81 g/mol, XLogP of 33.32, 38 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-tert-butylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]butan-1-one;3-[4-(4-tert-butylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]butan-1-one;1-[4-(4-methylphenyl)piperazin-1-yl]-3-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propane-1,3-dione;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)phenoxy]piperidin-1-yl]butan-1-one;3-[4-(4-methylphenyl)piperidin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 158531766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).