bis(1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxyethanone);1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone;2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone;2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone;1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone

C221H292Cl6N24O18S4 — CID 160840149

IUPACbis(1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxyethanone);1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone;2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone;2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone;1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone
SMILESCOc1ccc(N2CCN(C(=O)COC3CCC(Nc4ccc(SC)cc4)CC3)CC2)cc1.CSc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccc(C(C)(C)C)cc4)CC3)CC2)cc1.CSc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccc(C)cc4)CC3)CC2)cc1.CSc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccc(Cl)cc4)CC3)CC2)cc1.Cc1cc(NC2CCC(OCC(=O)N3CCN(c4ccc(C(C)(C)C)cc4)CC3)CC2)ccc1Cl.Cc1cc(NC2CCC(OCC(=O)N3CCN(c4ccc(C(C)(C)C)cc4)CC3)CC2)ccc1Cl.Cc1cc(NC2CCC(OCC(=O)N3CCN(c4ccc(Cl)cc4)CC3)CC2)ccc1Cl.Cc1cc(NC2CCC(OCC(=O)N3CCN(c4ccc(OCc5ccccc5)cc4)CC3)CC2)ccc1Cl
InChIInChI=1S/C32H38ClN3O3.2C29H40ClN3O2.C29H41N3O2S.C26H35N3O3S.C26H35N3O2S.C25H31Cl2N3O2.C25H32ClN3O2S/c1-24-21-27(9-16-31(24)33)34-26-7-12-29(13-8-26)39-23-32(37)36-19-17-35(18-20-36)28-10-14-30(15-11-28)38-22-25-5-3-2-4-6-25;2*1-21-19-24(9-14-27(21)30)31-23-7-12-26(13-8-23)35-20-28(34)33-17-15-32(16-18-33)25-10-5-22(6-11-25)29(2,3)4;1-29(2,3)22-5-11-25(12-6-22)31-17-19-32(20-18-31)28(33)21-34-26-13-7-23(8-14-26)30-24-9-15-27(35-4)16-10-24;1-31-23-11-7-22(8-12-23)28-15-17-29(18-16-28)26(30)19-32-24-9-3-20(4-10-24)27-21-5-13-25(33-2)14-6-21;1-20-3-9-23(10-4-20)28-15-17-29(18-16-28)26(30)19-31-24-11-5-21(6-12-24)27-22-7-13-25(32-2)14-8-22;1-18-16-21(6-11-24(18)27)28-20-4-9-23(10-5-20)32-17-25(31)30-14-12-29(13-15-30)22-7-2-19(26)3-8-22;1-32-24-12-6-21(7-13-24)27-20-4-10-23(11-5-20)31-18-25(30)29-16-14-28(15-17-29)22-8-2-19(26)3-9-22/h2-6,9-11,14-16,21,26,29,34H,7-8,12-13,17-20,22-23H2,1H3;2*5-6,9-11,14,19,23,26,31H,7-8,12-13,15-18,20H2,1-4H3;5-6,9-12,15-16,23,26,30H,7-8,13-14,17-21H2,1-4H3;5-8,11-14,20,24,27H,3-4,9-10,15-19H2,1-2H3;3-4,7-10,13-14,21,24,27H,5-6,11-12,15-19H2,1-2H3;2-3,6-8,11,16,20,23,28H,4-5,9-10,12-15,17H2,1H3;2-3,6-9,12-13,20,23,27H,4-5,10-11,14-18H2,1H3
InChIKeySHXPGMKIWBMFGQ-UHFFFAOYSA-N
MW3913.90 g/mol
LogP44.03
Rot. Bonds56

About bis(1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxyethanone);1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone;2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone;2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone;1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone

bis(1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxyethanone);1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone;2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone;2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone;1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone (PubChem CID 160840149) has the molecular formula C221H292Cl6N24O18S4 and a molecular weight of 3913.90 g/mol. Its IUPAC name is bis(1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxyethanone);1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone;2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone;2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone;1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone.

Molecular Properties

Compound Namebis(1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxyethanone);1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone;2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone;2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone;1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone
PubChem CID160840149
Molecular FormulaC221H292Cl6N24O18S4
Molecular Weight3913.90 g/mol
Exact Mass3907.97
IUPAC Namebis(1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxyethanone);1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone;2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone;2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone;1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone
SMILESCOc1ccc(N2CCN(C(=O)COC3CCC(Nc4ccc(SC)cc4)CC3)CC2)cc1.CSc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccc(C(C)(C)C)cc4)CC3)CC2)cc1.CSc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccc(C)cc4)CC3)CC2)cc1.CSc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccc(Cl)cc4)CC3)CC2)cc1.Cc1cc(NC2CCC(OCC(=O)N3CCN(c4ccc(C(C)(C)C)cc4)CC3)CC2)ccc1Cl.Cc1cc(NC2CCC(OCC(=O)N3CCN(c4ccc(C(C)(C)C)cc4)CC3)CC2)ccc1Cl.Cc1cc(NC2CCC(OCC(=O)N3CCN(c4ccc(Cl)cc4)CC3)CC2)ccc1Cl.Cc1cc(NC2CCC(OCC(=O)N3CCN(c4ccc(OCc5ccccc5)cc4)CC3)CC2)ccc1Cl
InChIInChI=1S/C32H38ClN3O3.2C29H40ClN3O2.C29H41N3O2S.C26H35N3O3S.C26H35N3O2S.C25H31Cl2N3O2.C25H32ClN3O2S/c1-24-21-27(9-16-31(24)33)34-26-7-12-29(13-8-26)39-23-32(37)36-19-17-35(18-20-36)28-10-14-30(15-11-28)38-22-25-5-3-2-4-6-25;2*1-21-19-24(9-14-27(21)30)31-23-7-12-26(13-8-23)35-20-28(34)33-17-15-32(16-18-33)25-10-5-22(6-11-25)29(2,3)4;1-29(2,3)22-5-11-25(12-6-22)31-17-19-32(20-18-31)28(33)21-34-26-13-7-23(8-14-26)30-24-9-15-27(35-4)16-10-24;1-31-23-11-7-22(8-12-23)28-15-17-29(18-16-28)26(30)19-32-24-9-3-20(4-10-24)27-21-5-13-25(33-2)14-6-21;1-20-3-9-23(10-4-20)28-15-17-29(18-16-28)26(30)19-31-24-11-5-21(6-12-24)27-22-7-13-25(32-2)14-8-22;1-18-16-21(6-11-24(18)27)28-20-4-9-23(10-5-20)32-17-25(31)30-14-12-29(13-15-30)22-7-2-19(26)3-8-22;1-32-24-12-6-21(7-13-24)27-20-4-10-23(11-5-20)31-18-25(30)29-16-14-28(15-17-29)22-8-2-19(26)3-9-22/h2-6,9-11,14-16,21,26,29,34H,7-8,12-13,17-20,22-23H2,1H3;2*5-6,9-11,14,19,23,26,31H,7-8,12-13,15-18,20H2,1-4H3;5-6,9-12,15-16,23,26,30H,7-8,13-14,17-21H2,1-4H3;5-8,11-14,20,24,27H,3-4,9-10,15-19H2,1-2H3;3-4,7-10,13-14,21,24,27H,5-6,11-12,15-19H2,1-2H3;2-3,6-8,11,16,20,23,28H,4-5,9-10,12-15,17H2,1H3;2-3,6-9,12-13,20,23,27H,4-5,10-11,14-18H2,1H3
InChIKeySHXPGMKIWBMFGQ-UHFFFAOYSA-N
XLogP44.03
TPSA376.94 Ų
H-Bond Donors8
H-Bond Acceptors38
Rotatable Bonds56
Heavy Atoms273
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003913.90
LogP ≤ 544.03
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1038

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 bis(1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxyethanone);1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone;2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone;2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone;1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone with MolForge

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Launch Full Analysis

Related Compounds

1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone
CID 58118085
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(3,4-dimethylanilino)cyclohexyl]oxyethanone
CID 58118077
2-[4-[4-chloro-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone
CID 58118347
1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxyethanethione
CID 58117993
2-[4-(3,4-dimethylanilino)cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone
CID 58118449
4-[[4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile;1-[4-(4-chlorophenyl)piperazin-1-yl]-3-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]propan-1-one;4-[[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile;2-methyl-4-[[4-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]benzonitrile;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxyethanone;3-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 158685477
2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone
CID 58118367
1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 113076572
2-amino-5-[[4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]benzonitrile
CID 143820618
1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-[4-nitroso-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone
CID 88983886
1-[2-(4-chlorophenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone
CID 58118251
2-cyclohexyloxy-1-[4-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]piperazin-1-yl]ethanone
CID 90261225

Frequently Asked Questions

What is the IUPAC name of bis(1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxyethanone);1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone;2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone;2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone;1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone?
The IUPAC name of bis(1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxyethanone);1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone;2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone;2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone;1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone (CID 160840149) is bis(1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxyethanone);1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone;2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone;2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone;1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone.
What is the SMILES notation for bis(1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxyethanone);1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone;2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone;2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone;1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone?
The canonical SMILES for bis(1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxyethanone);1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone;2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone;2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone;1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone is COc1ccc(N2CCN(C(=O)COC3CCC(Nc4ccc(SC)cc4)CC3)CC2)cc1.CSc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccc(C(C)(C)C)cc4)CC3)CC2)cc1.CSc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccc(C)cc4)CC3)CC2)cc1.CSc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccc(Cl)cc4)CC3)CC2)cc1.Cc1cc(NC2CCC(OCC(=O)N3CCN(c4ccc(C(C)(C)C)cc4)CC3)CC2)ccc1Cl.Cc1cc(NC2CCC(OCC(=O)N3CCN(c4ccc(C(C)(C)C)cc4)CC3)CC2)ccc1Cl.Cc1cc(NC2CCC(OCC(=O)N3CCN(c4ccc(Cl)cc4)CC3)CC2)ccc1Cl.Cc1cc(NC2CCC(OCC(=O)N3CCN(c4ccc(OCc5ccccc5)cc4)CC3)CC2)ccc1Cl.
What is the InChIKey of bis(1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxyethanone);1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone;2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone;2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone;1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone?
The InChIKey is SHXPGMKIWBMFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38ClN3O3.2C29H40ClN3O2.C29H41N3O2S.C26H35N3O3S.C26H35N3O2S.C25H31Cl2N3O2.C25H32ClN3O2S/c1-24-21-27(9-16-31(24)33)34-26-7-12-29(13-8-26)39-23-32(37)36-19-17-35(18-20-36)28-10-14-30(15-11-28)38-22-25-5-3-2-4-6-25;2*1-21-19-24(9-14-27(21)30)31-23-7-12-26(13-8-23)35-20-28(34)33-17-15-32(16-18-33)25-10-5-22(6-11-25)29(2,3)4;1-29(2,3)22-5-11-25(12-6-22)31-17-19-32(20-18-31)28(33)21-34-26-13-7-23(8-14-26)30-24-9-15-27(35-4)16-10-24;1-31-23-11-7-22(8-12-23)28-15-17-29(18-16-28)26(30)19-32-24-9-3-20(4-10-24)27-21-5-13-25(33-2)14-6-21;1-20-3-9-23(10-4-20)28-15-17-29(18-16-28)26(30)19-31-24-11-5-21(6-12-24)27-22-7-13-25(32-2)14-8-22;1-18-16-21(6-11-24(18)27)28-20-4-9-23(10-5-20)32-17-25(31)30-14-12-29(13-15-30)22-7-2-19(26)3-8-22;1-32-24-12-6-21(7-13-24)27-20-4-10-23(11-5-20)31-18-25(30)29-16-14-28(15-17-29)22-8-2-19(26)3-9-22/h2-6,9-11,14-16,21,26,29,34H,7-8,12-13,17-20,22-23H2,1H3;2*5-6,9-11,14,19,23,26,31H,7-8,12-13,15-18,20H2,1-4H3;5-6,9-12,15-16,23,26,30H,7-8,13-14,17-21H2,1-4H3;5-8,11-14,20,24,27H,3-4,9-10,15-19H2,1-2H3;3-4,7-10,13-14,21,24,27H,5-6,11-12,15-19H2,1-2H3;2-3,6-8,11,16,20,23,28H,4-5,9-10,12-15,17H2,1H3;2-3,6-9,12-13,20,23,27H,4-5,10-11,14-18H2,1H3.
What are the key properties of bis(1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxyethanone);1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone;2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone;2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone;1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone?
bis(1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxyethanone);1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone;2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone;2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone;1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone has a molecular weight of 3913.90 g/mol, XLogP of 44.03, 56 rotatable bonds, 8 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxyethanone);1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone;2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone;2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone;1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-(4-methylsulfanylanilino)cyclohexyl]oxyethanone is sourced from PubChem (CID 160840149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).