4-[4-(4-tert-butylphenyl)piperazin-1-yl]-1-[4-(3,4-dimethylanilino)piperidin-1-yl]butane-1-thione;3-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-methyl-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;1-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butane-1-thione;2-methyl-4-[[1-[4-[1-(4-methylphenyl)piperidin-4-yl]butanoyl]piperidin-4-yl]amino]benzonitrile;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methylsulfonyl-3-(trifluoromethyl)anilino]piperidin-1-yl]butane-1-thione;3-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one

C170H234F9N25O6S5 — CID 157366776

IUPAC4-[4-(4-tert-butylphenyl)piperazin-1-yl]-1-[4-(3,4-dimethylanilino)piperidin-1-yl]butane-1-thione;3-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-methyl-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;1-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butane-1-thione;2-methyl-4-[[1-[4-[1-(4-methylphenyl)piperidin-4-yl]butanoyl]piperidin-4-yl]amino]benzonitrile;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methylsulfonyl-3-(trifluoromethyl)anilino]piperidin-1-yl]butane-1-thione;3-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one
SMILESCc1ccc(N2CCC(CCCC(=O)N3CCC(Nc4ccc(C#N)c(C)c4)CC3)CC2)cc1.Cc1ccc(N2CCN(CCCC(=S)N3CCC(Nc4ccc(S(C)(=O)=O)c(C(F)(F)F)c4)CC3)CC2)cc1.Cc1ccc(N2CCN(CCCC(=S)N3CCC(Oc4ccc(C)c(C)c4)CC3)CC2)cc1.Cc1ccc(NC2CCN(C(=O)C(C)CN3CCN(c4ccc(C(C)(C)C)cc4)CC3)CC2)cc1C(F)(F)F.Cc1ccc(NC2CCN(C(=S)CCCN3CCN(c4ccc(C(C)(C)C)cc4)CC3)CC2)cc1C.Cc1nnc(N2CCN(CCC(=O)N3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)s1
InChIInChI=1S/C31H43F3N4O.C31H46N4S.C29H38N4O.C28H37F3N4O2S2.C28H39N3OS.C23H31F3N6OS/c1-22-6-9-26(20-28(22)31(32,33)34)35-25-12-14-38(15-13-25)29(39)23(2)21-36-16-18-37(19-17-36)27-10-7-24(8-11-27)30(3,4)5;1-24-8-11-28(23-25(24)2)32-27-14-17-35(18-15-27)30(36)7-6-16-33-19-21-34(22-20-33)29-12-9-26(10-13-29)31(3,4)5;1-22-6-10-28(11-7-22)32-16-12-24(13-17-32)4-3-5-29(34)33-18-14-26(15-19-33)31-27-9-8-25(21-30)23(2)20-27;1-21-5-8-24(9-6-21)34-18-16-33(17-19-34)13-3-4-27(38)35-14-11-22(12-15-35)32-23-7-10-26(39(2,36)37)25(20-23)28(29,30)31;1-22-6-9-25(10-7-22)30-19-17-29(18-20-30)14-4-5-28(33)31-15-12-26(13-16-31)32-27-11-8-23(2)24(3)21-27;1-16-3-4-19(15-20(16)23(24,25)26)27-18-5-9-31(10-6-18)21(33)7-8-30-11-13-32(14-12-30)22-29-28-17(2)34-22/h6-11,20,23,25,35H,12-19,21H2,1-5H3;8-13,23,27,32H,6-7,14-22H2,1-5H3;6-11,20,24,26,31H,3-5,12-19H2,1-2H3;5-10,20,22,32H,3-4,11-19H2,1-2H3;6-11,21,26H,4-5,12-20H2,1-3H3;3-4,15,18,27H,5-14H2,1-2H3
InChIKeyBJGXDXXGSXOYJK-UHFFFAOYSA-N
MW3055.23 g/mol
LogP32.64
Rot. Bonds41

About 4-[4-(4-tert-butylphenyl)piperazin-1-yl]-1-[4-(3,4-dimethylanilino)piperidin-1-yl]butane-1-thione;3-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-methyl-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;1-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butane-1-thione;2-methyl-4-[[1-[4-[1-(4-methylphenyl)piperidin-4-yl]butanoyl]piperidin-4-yl]amino]benzonitrile;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methylsulfonyl-3-(trifluoromethyl)anilino]piperidin-1-yl]butane-1-thione;3-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-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-(3,4-dimethylanilino)piperidin-1-yl]butane-1-thione;3-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-methyl-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;1-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butane-1-thione;2-methyl-4-[[1-[4-[1-(4-methylphenyl)piperidin-4-yl]butanoyl]piperidin-4-yl]amino]benzonitrile;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methylsulfonyl-3-(trifluoromethyl)anilino]piperidin-1-yl]butane-1-thione;3-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one (PubChem CID 157366776) has the molecular formula C170H234F9N25O6S5 and a molecular weight of 3055.23 g/mol. Its IUPAC name is 4-[4-(4-tert-butylphenyl)piperazin-1-yl]-1-[4-(3,4-dimethylanilino)piperidin-1-yl]butane-1-thione;3-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-methyl-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;1-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butane-1-thione;2-methyl-4-[[1-[4-[1-(4-methylphenyl)piperidin-4-yl]butanoyl]piperidin-4-yl]amino]benzonitrile;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methylsulfonyl-3-(trifluoromethyl)anilino]piperidin-1-yl]butane-1-thione;3-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-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-(3,4-dimethylanilino)piperidin-1-yl]butane-1-thione;3-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-methyl-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;1-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butane-1-thione;2-methyl-4-[[1-[4-[1-(4-methylphenyl)piperidin-4-yl]butanoyl]piperidin-4-yl]amino]benzonitrile;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methylsulfonyl-3-(trifluoromethyl)anilino]piperidin-1-yl]butane-1-thione;3-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one
PubChem CID157366776
Molecular FormulaC170H234F9N25O6S5
Molecular Weight3055.23 g/mol
Exact Mass3052.72
IUPAC Name4-[4-(4-tert-butylphenyl)piperazin-1-yl]-1-[4-(3,4-dimethylanilino)piperidin-1-yl]butane-1-thione;3-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-methyl-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;1-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butane-1-thione;2-methyl-4-[[1-[4-[1-(4-methylphenyl)piperidin-4-yl]butanoyl]piperidin-4-yl]amino]benzonitrile;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methylsulfonyl-3-(trifluoromethyl)anilino]piperidin-1-yl]butane-1-thione;3-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one
SMILESCc1ccc(N2CCC(CCCC(=O)N3CCC(Nc4ccc(C#N)c(C)c4)CC3)CC2)cc1.Cc1ccc(N2CCN(CCCC(=S)N3CCC(Nc4ccc(S(C)(=O)=O)c(C(F)(F)F)c4)CC3)CC2)cc1.Cc1ccc(N2CCN(CCCC(=S)N3CCC(Oc4ccc(C)c(C)c4)CC3)CC2)cc1.Cc1ccc(NC2CCN(C(=O)C(C)CN3CCN(c4ccc(C(C)(C)C)cc4)CC3)CC2)cc1C(F)(F)F.Cc1ccc(NC2CCN(C(=S)CCCN3CCN(c4ccc(C(C)(C)C)cc4)CC3)CC2)cc1C.Cc1nnc(N2CCN(CCC(=O)N3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)s1
InChIInChI=1S/C31H43F3N4O.C31H46N4S.C29H38N4O.C28H37F3N4O2S2.C28H39N3OS.C23H31F3N6OS/c1-22-6-9-26(20-28(22)31(32,33)34)35-25-12-14-38(15-13-25)29(39)23(2)21-36-16-18-37(19-17-36)27-10-7-24(8-11-27)30(3,4)5;1-24-8-11-28(23-25(24)2)32-27-14-17-35(18-15-27)30(36)7-6-16-33-19-21-34(22-20-33)29-12-9-26(10-13-29)31(3,4)5;1-22-6-10-28(11-7-22)32-16-12-24(13-17-32)4-3-5-29(34)33-18-14-26(15-19-33)31-27-9-8-25(21-30)23(2)20-27;1-21-5-8-24(9-6-21)34-18-16-33(17-19-34)13-3-4-27(38)35-14-11-22(12-15-35)32-23-7-10-26(39(2,36)37)25(20-23)28(29,30)31;1-22-6-9-25(10-7-22)30-19-17-29(18-20-30)14-4-5-28(33)31-15-12-26(13-16-31)32-27-11-8-23(2)24(3)21-27;1-16-3-4-19(15-20(16)23(24,25)26)27-18-5-9-31(10-6-18)21(33)7-8-30-11-13-32(14-12-30)22-29-28-17(2)34-22/h6-11,20,23,25,35H,12-19,21H2,1-5H3;8-13,23,27,32H,6-7,14-22H2,1-5H3;6-11,20,24,26,31H,3-5,12-19H2,1-2H3;5-10,20,22,32H,3-4,11-19H2,1-2H3;6-11,21,26H,4-5,12-20H2,1-3H3;3-4,15,18,27H,5-14H2,1-2H3
InChIKeyBJGXDXXGSXOYJK-UHFFFAOYSA-N
XLogP32.64
TPSA259.38 Ų
H-Bond Donors5
H-Bond Acceptors29
Rotatable Bonds41
Heavy Atoms215
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003055.23
LogP ≤ 532.64
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 4-[4-(4-tert-butylphenyl)piperazin-1-yl]-1-[4-(3,4-dimethylanilino)piperidin-1-yl]butane-1-thione;3-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-methyl-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;1-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butane-1-thione;2-methyl-4-[[1-[4-[1-(4-methylphenyl)piperidin-4-yl]butanoyl]piperidin-4-yl]amino]benzonitrile;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methylsulfonyl-3-(trifluoromethyl)anilino]piperidin-1-yl]butane-1-thione;3-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one with MolForge

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Related Compounds

1-(4-Aminopiperidin-1-yl)-4-[4-(4-tert-butylphenyl)piperazin-1-yl]butane-1-thione;1-[4-(buta-1,3-dien-2-ylamino)piperidin-1-yl]-3-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]propan-1-one;3-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-methyl-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;1-[4-(methylamino)piperidin-1-yl]-4-[1-(4-methylphenyl)piperidin-4-yl]butan-1-one;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methylsulfonyl-3-(trifluoromethyl)anilino]piperidin-1-yl]butane-1-thione;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)phenoxy]piperidin-1-yl]butane-1-thione
CID 158536209
4-[4-(4-Tert-butylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]butane-1-thione;1-[4-[(4,5-dimethyl-2-pyridinyl)amino]piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butane-1-thione;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]butane-1-thione;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methylsulfonyl-3-(trifluoromethyl)anilino]piperidin-1-yl]butane-1-thione;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)phenoxy]piperidin-1-yl]butane-1-thione;3-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one
CID 161343450
3-[4-(4-Tert-butylphenyl)piperazin-1-yl]-2-methyl-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;4-[4-(4-tert-butylphenyl)piperazin-1-yl]-1-[4-(3-methyl-4-nitroanilino)piperidin-1-yl]butane-1-thione;2-methyl-4-[[1-[4-[1-(4-methylphenyl)piperidin-4-yl]butanoyl]piperidin-4-yl]amino]benzonitrile;1-[4-(3-methyl-4-nitroanilino)piperidin-1-yl]-3-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]propan-1-one;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methylsulfonyl-3-(trifluoromethyl)anilino]piperidin-1-yl]butane-1-thione;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)phenoxy]piperidin-1-yl]butane-1-thione
CID 161906392

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-tert-butylphenyl)piperazin-1-yl]-1-[4-(3,4-dimethylanilino)piperidin-1-yl]butane-1-thione;3-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-methyl-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;1-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butane-1-thione;2-methyl-4-[[1-[4-[1-(4-methylphenyl)piperidin-4-yl]butanoyl]piperidin-4-yl]amino]benzonitrile;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methylsulfonyl-3-(trifluoromethyl)anilino]piperidin-1-yl]butane-1-thione;3-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-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-(3,4-dimethylanilino)piperidin-1-yl]butane-1-thione;3-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-methyl-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;1-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butane-1-thione;2-methyl-4-[[1-[4-[1-(4-methylphenyl)piperidin-4-yl]butanoyl]piperidin-4-yl]amino]benzonitrile;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methylsulfonyl-3-(trifluoromethyl)anilino]piperidin-1-yl]butane-1-thione;3-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one (CID 157366776) is 4-[4-(4-tert-butylphenyl)piperazin-1-yl]-1-[4-(3,4-dimethylanilino)piperidin-1-yl]butane-1-thione;3-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-methyl-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;1-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butane-1-thione;2-methyl-4-[[1-[4-[1-(4-methylphenyl)piperidin-4-yl]butanoyl]piperidin-4-yl]amino]benzonitrile;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methylsulfonyl-3-(trifluoromethyl)anilino]piperidin-1-yl]butane-1-thione;3-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-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-(3,4-dimethylanilino)piperidin-1-yl]butane-1-thione;3-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-methyl-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;1-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butane-1-thione;2-methyl-4-[[1-[4-[1-(4-methylphenyl)piperidin-4-yl]butanoyl]piperidin-4-yl]amino]benzonitrile;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methylsulfonyl-3-(trifluoromethyl)anilino]piperidin-1-yl]butane-1-thione;3-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-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-(3,4-dimethylanilino)piperidin-1-yl]butane-1-thione;3-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-methyl-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;1-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butane-1-thione;2-methyl-4-[[1-[4-[1-(4-methylphenyl)piperidin-4-yl]butanoyl]piperidin-4-yl]amino]benzonitrile;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methylsulfonyl-3-(trifluoromethyl)anilino]piperidin-1-yl]butane-1-thione;3-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one is Cc1ccc(N2CCC(CCCC(=O)N3CCC(Nc4ccc(C#N)c(C)c4)CC3)CC2)cc1.Cc1ccc(N2CCN(CCCC(=S)N3CCC(Nc4ccc(S(C)(=O)=O)c(C(F)(F)F)c4)CC3)CC2)cc1.Cc1ccc(N2CCN(CCCC(=S)N3CCC(Oc4ccc(C)c(C)c4)CC3)CC2)cc1.Cc1ccc(NC2CCN(C(=O)C(C)CN3CCN(c4ccc(C(C)(C)C)cc4)CC3)CC2)cc1C(F)(F)F.Cc1ccc(NC2CCN(C(=S)CCCN3CCN(c4ccc(C(C)(C)C)cc4)CC3)CC2)cc1C.Cc1nnc(N2CCN(CCC(=O)N3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)s1.
What is the InChIKey of 4-[4-(4-tert-butylphenyl)piperazin-1-yl]-1-[4-(3,4-dimethylanilino)piperidin-1-yl]butane-1-thione;3-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-methyl-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;1-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butane-1-thione;2-methyl-4-[[1-[4-[1-(4-methylphenyl)piperidin-4-yl]butanoyl]piperidin-4-yl]amino]benzonitrile;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methylsulfonyl-3-(trifluoromethyl)anilino]piperidin-1-yl]butane-1-thione;3-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one?
The InChIKey is BJGXDXXGSXOYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H43F3N4O.C31H46N4S.C29H38N4O.C28H37F3N4O2S2.C28H39N3OS.C23H31F3N6OS/c1-22-6-9-26(20-28(22)31(32,33)34)35-25-12-14-38(15-13-25)29(39)23(2)21-36-16-18-37(19-17-36)27-10-7-24(8-11-27)30(3,4)5;1-24-8-11-28(23-25(24)2)32-27-14-17-35(18-15-27)30(36)7-6-16-33-19-21-34(22-20-33)29-12-9-26(10-13-29)31(3,4)5;1-22-6-10-28(11-7-22)32-16-12-24(13-17-32)4-3-5-29(34)33-18-14-26(15-19-33)31-27-9-8-25(21-30)23(2)20-27;1-21-5-8-24(9-6-21)34-18-16-33(17-19-34)13-3-4-27(38)35-14-11-22(12-15-35)32-23-7-10-26(39(2,36)37)25(20-23)28(29,30)31;1-22-6-9-25(10-7-22)30-19-17-29(18-20-30)14-4-5-28(33)31-15-12-26(13-16-31)32-27-11-8-23(2)24(3)21-27;1-16-3-4-19(15-20(16)23(24,25)26)27-18-5-9-31(10-6-18)21(33)7-8-30-11-13-32(14-12-30)22-29-28-17(2)34-22/h6-11,20,23,25,35H,12-19,21H2,1-5H3;8-13,23,27,32H,6-7,14-22H2,1-5H3;6-11,20,24,26,31H,3-5,12-19H2,1-2H3;5-10,20,22,32H,3-4,11-19H2,1-2H3;6-11,21,26H,4-5,12-20H2,1-3H3;3-4,15,18,27H,5-14H2,1-2H3.
What are the key properties of 4-[4-(4-tert-butylphenyl)piperazin-1-yl]-1-[4-(3,4-dimethylanilino)piperidin-1-yl]butane-1-thione;3-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-methyl-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;1-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butane-1-thione;2-methyl-4-[[1-[4-[1-(4-methylphenyl)piperidin-4-yl]butanoyl]piperidin-4-yl]amino]benzonitrile;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methylsulfonyl-3-(trifluoromethyl)anilino]piperidin-1-yl]butane-1-thione;3-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-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-(3,4-dimethylanilino)piperidin-1-yl]butane-1-thione;3-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-methyl-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;1-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butane-1-thione;2-methyl-4-[[1-[4-[1-(4-methylphenyl)piperidin-4-yl]butanoyl]piperidin-4-yl]amino]benzonitrile;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methylsulfonyl-3-(trifluoromethyl)anilino]piperidin-1-yl]butane-1-thione;3-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one has a molecular weight of 3055.23 g/mol, XLogP of 32.64, 41 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-tert-butylphenyl)piperazin-1-yl]-1-[4-(3,4-dimethylanilino)piperidin-1-yl]butane-1-thione;3-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-methyl-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;1-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butane-1-thione;2-methyl-4-[[1-[4-[1-(4-methylphenyl)piperidin-4-yl]butanoyl]piperidin-4-yl]amino]benzonitrile;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methylsulfonyl-3-(trifluoromethyl)anilino]piperidin-1-yl]butane-1-thione;3-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 157366776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).