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

C163H223F12N27O4S7 — CID 161343450

IUPAC4-[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
SMILESCc1ccc(N2CCN(CCCC(=S)N3CCC(Nc4cc(C)c(C)cn4)CC3)CC2)cc1.Cc1ccc(N2CCN(CCCC(=S)N3CCC(Nc4ccc(C)cn4)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(F)(F)F)c4)CC3)CC2)cc1.Cc1ccc(NC2CCN(C(=S)CCCN3CCN(c4ccc(C(C)(C)C)cc4)CC3)CC2)cc1C(F)(F)F.Cc1nnc(N2CCN(CCC(=O)N3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)s1
InChIInChI=1S/C31H43F3N4S.C28H37F3N4O2S2.C28H36F3N3OS.C27H39N5S.C26H37N5S.C23H31F3N6OS/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;1-21-5-8-24(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;1-21-5-8-23(9-6-21)33-18-16-32(17-19-33)13-3-4-27(36)34-14-11-24(12-15-34)35-25-10-7-22(2)26(20-25)28(29,30)31;1-21-6-8-25(9-7-21)31-17-15-30(16-18-31)12-4-5-27(33)32-13-10-24(11-14-32)29-26-19-22(2)23(3)20-28-26;1-21-5-8-24(9-6-21)30-18-16-29(17-19-30)13-3-4-26(32)31-14-11-23(12-15-31)28-25-10-7-22(2)20-27-25;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/h7-12,22,25,35H,5-6,13-21H2,1-4H3;5-10,20,22,32H,3-4,11-19H2,1-2H3;5-10,20,24H,3-4,11-19H2,1-2H3;6-9,19-20,24H,4-5,10-18H2,1-3H3,(H,28,29);5-10,20,23H,3-4,11-19H2,1-2H3,(H,27,28);3-4,15,18,27H,5-14H2,1-2H3
InChIKeyVMZFPLPCWYFJGY-UHFFFAOYSA-N
MW3077.21 g/mol
LogP31.54
Rot. Bonds42

About 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

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 (PubChem CID 161343450) has the molecular formula C163H223F12N27O4S7 and a molecular weight of 3077.21 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID161343450
Molecular FormulaC163H223F12N27O4S7
Molecular Weight3077.21 g/mol
Exact Mass3074.59
IUPAC Name4-[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
SMILESCc1ccc(N2CCN(CCCC(=S)N3CCC(Nc4cc(C)c(C)cn4)CC3)CC2)cc1.Cc1ccc(N2CCN(CCCC(=S)N3CCC(Nc4ccc(C)cn4)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(F)(F)F)c4)CC3)CC2)cc1.Cc1ccc(NC2CCN(C(=S)CCCN3CCN(c4ccc(C(C)(C)C)cc4)CC3)CC2)cc1C(F)(F)F.Cc1nnc(N2CCN(CCC(=O)N3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)s1
InChIInChI=1S/C31H43F3N4S.C28H37F3N4O2S2.C28H36F3N3OS.C27H39N5S.C26H37N5S.C23H31F3N6OS/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;1-21-5-8-24(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;1-21-5-8-23(9-6-21)33-18-16-32(17-19-33)13-3-4-27(36)34-14-11-24(12-15-34)35-25-10-7-22(2)26(20-25)28(29,30)31;1-21-6-8-25(9-7-21)31-17-15-30(16-18-31)12-4-5-27(33)32-13-10-24(11-14-32)29-26-19-22(2)23(3)20-28-26;1-21-5-8-24(9-6-21)30-18-16-29(17-19-30)13-3-4-26(32)31-14-11-23(12-15-31)28-25-10-7-22(2)20-27-25;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/h7-12,22,25,35H,5-6,13-21H2,1-4H3;5-10,20,22,32H,3-4,11-19H2,1-2H3;5-10,20,24H,3-4,11-19H2,1-2H3;6-9,19-20,24H,4-5,10-18H2,1-3H3,(H,28,29);5-10,20,23H,3-4,11-19H2,1-2H3,(H,27,28);3-4,15,18,27H,5-14H2,1-2H3
InChIKeyVMZFPLPCWYFJGY-UHFFFAOYSA-N
XLogP31.54
TPSA230.47 Ų
H-Bond Donors5
H-Bond Acceptors31
Rotatable Bonds42
Heavy Atoms213
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003077.21
LogP ≤ 531.54
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1031

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-[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 with MolForge

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Related Compounds

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
4-[4-(4-Tert-butylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)phenoxy]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;1-[4-(4-methylanilino)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;5-[4-(4-methylphenyl)piperazin-1-yl]-1-[1-(4-methylsulfanylphenyl)piperidin-4-yl]pentane-2-thione;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)phenoxy]piperidin-1-yl]butane-1-thione
CID 158068243
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

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]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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(N2CCN(CCCC(=S)N3CCC(Nc4cc(C)c(C)cn4)CC3)CC2)cc1.Cc1ccc(N2CCN(CCCC(=S)N3CCC(Nc4ccc(C)cn4)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(F)(F)F)c4)CC3)CC2)cc1.Cc1ccc(NC2CCN(C(=S)CCCN3CCN(c4ccc(C(C)(C)C)cc4)CC3)CC2)cc1C(F)(F)F.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-[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?
The InChIKey is VMZFPLPCWYFJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H43F3N4S.C28H37F3N4O2S2.C28H36F3N3OS.C27H39N5S.C26H37N5S.C23H31F3N6OS/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;1-21-5-8-24(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;1-21-5-8-23(9-6-21)33-18-16-32(17-19-33)13-3-4-27(36)34-14-11-24(12-15-34)35-25-10-7-22(2)26(20-25)28(29,30)31;1-21-6-8-25(9-7-21)31-17-15-30(16-18-31)12-4-5-27(33)32-13-10-24(11-14-32)29-26-19-22(2)23(3)20-28-26;1-21-5-8-24(9-6-21)30-18-16-29(17-19-30)13-3-4-26(32)31-14-11-23(12-15-31)28-25-10-7-22(2)20-27-25;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/h7-12,22,25,35H,5-6,13-21H2,1-4H3;5-10,20,22,32H,3-4,11-19H2,1-2H3;5-10,20,24H,3-4,11-19H2,1-2H3;6-9,19-20,24H,4-5,10-18H2,1-3H3,(H,28,29);5-10,20,23H,3-4,11-19H2,1-2H3,(H,27,28);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-[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?
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 has a molecular weight of 3077.21 g/mol, XLogP of 31.54, 42 rotatable bonds, 5 hydrogen bond donors, and 31 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]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 is sourced from PubChem (CID 161343450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).