4-[[1-[4-[4-(4-chlorophenyl)piperazin-1-yl]butanoyl]piperidin-4-yl]amino]-2-methylbenzonitrile;methane;2-methyl-3-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;2-methyl-4-[[1-[4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]butanoyl]piperidin-4-yl]amino]benzonitrile;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-(4-methylsulfanylanilino)piperidin-1-yl]butan-1-one;4-[1-(4-methylphenyl)piperidin-4-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]butan-1-one;3-[4-(6-methyl-3-pyridinyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-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

C198H258ClF12N29O9S — CID 161104754

IUPAC4-[[1-[4-[4-(4-chlorophenyl)piperazin-1-yl]butanoyl]piperidin-4-yl]amino]-2-methylbenzonitrile;methane;2-methyl-3-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;2-methyl-4-[[1-[4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]butanoyl]piperidin-4-yl]amino]benzonitrile;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-(4-methylsulfanylanilino)piperidin-1-yl]butan-1-one;4-[1-(4-methylphenyl)piperidin-4-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]butan-1-one;3-[4-(6-methyl-3-pyridinyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-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
SMILESC.CSc1ccc(NC2CCN(C(=O)CCCN3CCN(c4ccc(C)cc4)CC3)CC2)cc1.Cc1cc(NC2CCN(C(=O)CCCN3CCN(c4ccc(Cl)cc4)CC3)CC2)ccc1C#N.Cc1ccc(N2CCC(CCCC(=O)N3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1.Cc1ccc(N2CCN(CC(C)C(=O)N3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1.Cc1ccc(N2CCN(CCC(=O)N3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cn1.Cc1ccc(N2CCN(CCCC(=O)N3CCC(Nc4ccc(C#N)c(C)c4)CC3)CC2)nc1.Cc1ccc(OC2CCN(C(=O)CCN3CCC(c4ccc(Oc5ccccc5)cc4)CC3)CC2)cc1C(F)(F)F
InChIInChI=1S/C33H37F3N2O3.C29H38F3N3O.C28H37F3N4O.C27H34ClN5O.C27H36N6O.C27H38N4OS.C26H34F3N5O.CH4/c1-24-7-10-30(23-31(24)33(34,35)36)41-29-15-21-38(22-16-29)32(39)17-20-37-18-13-26(14-19-37)25-8-11-28(12-9-25)40-27-5-3-2-4-6-27;1-21-6-10-26(11-7-21)34-16-12-23(13-17-34)4-3-5-28(36)35-18-14-24(15-19-35)33-25-9-8-22(2)27(20-25)29(30,31)32;1-20-4-8-25(9-5-20)34-16-14-33(15-17-34)19-22(3)27(36)35-12-10-23(11-13-35)32-24-7-6-21(2)26(18-24)28(29,30)31;1-21-19-25(7-4-22(21)20-29)30-24-10-13-33(14-11-24)27(34)3-2-12-31-15-17-32(18-16-31)26-8-5-23(28)6-9-26;1-21-5-8-26(29-20-21)32-16-14-31(15-17-32)11-3-4-27(34)33-12-9-24(10-13-33)30-25-7-6-23(19-28)22(2)18-25;1-22-5-9-25(10-6-22)30-20-18-29(19-21-30)15-3-4-27(32)31-16-13-24(14-17-31)28-23-7-11-26(33-2)12-8-23;1-19-3-5-22(17-24(19)26(27,28)29)31-21-7-11-34(12-8-21)25(35)9-10-32-13-15-33(16-14-32)23-6-4-20(2)30-18-23;/h2-12,23,26,29H,13-22H2,1H3;6-11,20,23-24,33H,3-5,12-19H2,1-2H3;4-9,18,22-23,32H,10-17,19H2,1-3H3;4-9,19,24,30H,2-3,10-18H2,1H3;5-8,18,20,24,30H,3-4,9-17H2,1-2H3;5-12,24,28H,3-4,13-21H2,1-2H3;3-6,17-18,21,31H,7-16H2,1-2H3;1H4
InChIKeyUIWZVPQVUIMOPC-UHFFFAOYSA-N
MW3483.93 g/mol
LogP37.23
Rot. Bonds49

About 4-[[1-[4-[4-(4-chlorophenyl)piperazin-1-yl]butanoyl]piperidin-4-yl]amino]-2-methylbenzonitrile;methane;2-methyl-3-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;2-methyl-4-[[1-[4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]butanoyl]piperidin-4-yl]amino]benzonitrile;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-(4-methylsulfanylanilino)piperidin-1-yl]butan-1-one;4-[1-(4-methylphenyl)piperidin-4-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]butan-1-one;3-[4-(6-methyl-3-pyridinyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-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

4-[[1-[4-[4-(4-chlorophenyl)piperazin-1-yl]butanoyl]piperidin-4-yl]amino]-2-methylbenzonitrile;methane;2-methyl-3-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;2-methyl-4-[[1-[4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]butanoyl]piperidin-4-yl]amino]benzonitrile;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-(4-methylsulfanylanilino)piperidin-1-yl]butan-1-one;4-[1-(4-methylphenyl)piperidin-4-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]butan-1-one;3-[4-(6-methyl-3-pyridinyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-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 (PubChem CID 161104754) has the molecular formula C198H258ClF12N29O9S and a molecular weight of 3483.93 g/mol. Its IUPAC name is 4-[[1-[4-[4-(4-chlorophenyl)piperazin-1-yl]butanoyl]piperidin-4-yl]amino]-2-methylbenzonitrile;methane;2-methyl-3-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;2-methyl-4-[[1-[4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]butanoyl]piperidin-4-yl]amino]benzonitrile;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-(4-methylsulfanylanilino)piperidin-1-yl]butan-1-one;4-[1-(4-methylphenyl)piperidin-4-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]butan-1-one;3-[4-(6-methyl-3-pyridinyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-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.

Molecular Properties

Compound Name4-[[1-[4-[4-(4-chlorophenyl)piperazin-1-yl]butanoyl]piperidin-4-yl]amino]-2-methylbenzonitrile;methane;2-methyl-3-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;2-methyl-4-[[1-[4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]butanoyl]piperidin-4-yl]amino]benzonitrile;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-(4-methylsulfanylanilino)piperidin-1-yl]butan-1-one;4-[1-(4-methylphenyl)piperidin-4-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]butan-1-one;3-[4-(6-methyl-3-pyridinyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-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
PubChem CID161104754
Molecular FormulaC198H258ClF12N29O9S
Molecular Weight3483.93 g/mol
Exact Mass3480.98
IUPAC Name4-[[1-[4-[4-(4-chlorophenyl)piperazin-1-yl]butanoyl]piperidin-4-yl]amino]-2-methylbenzonitrile;methane;2-methyl-3-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;2-methyl-4-[[1-[4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]butanoyl]piperidin-4-yl]amino]benzonitrile;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-(4-methylsulfanylanilino)piperidin-1-yl]butan-1-one;4-[1-(4-methylphenyl)piperidin-4-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]butan-1-one;3-[4-(6-methyl-3-pyridinyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-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
SMILESC.CSc1ccc(NC2CCN(C(=O)CCCN3CCN(c4ccc(C)cc4)CC3)CC2)cc1.Cc1cc(NC2CCN(C(=O)CCCN3CCN(c4ccc(Cl)cc4)CC3)CC2)ccc1C#N.Cc1ccc(N2CCC(CCCC(=O)N3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1.Cc1ccc(N2CCN(CC(C)C(=O)N3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1.Cc1ccc(N2CCN(CCC(=O)N3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cn1.Cc1ccc(N2CCN(CCCC(=O)N3CCC(Nc4ccc(C#N)c(C)c4)CC3)CC2)nc1.Cc1ccc(OC2CCN(C(=O)CCN3CCC(c4ccc(Oc5ccccc5)cc4)CC3)CC2)cc1C(F)(F)F
InChIInChI=1S/C33H37F3N2O3.C29H38F3N3O.C28H37F3N4O.C27H34ClN5O.C27H36N6O.C27H38N4OS.C26H34F3N5O.CH4/c1-24-7-10-30(23-31(24)33(34,35)36)41-29-15-21-38(22-16-29)32(39)17-20-37-18-13-26(14-19-37)25-8-11-28(12-9-25)40-27-5-3-2-4-6-27;1-21-6-10-26(11-7-21)34-16-12-23(13-17-34)4-3-5-28(36)35-18-14-24(15-19-35)33-25-9-8-22(2)27(20-25)29(30,31)32;1-20-4-8-25(9-5-20)34-16-14-33(15-17-34)19-22(3)27(36)35-12-10-23(11-13-35)32-24-7-6-21(2)26(18-24)28(29,30)31;1-21-19-25(7-4-22(21)20-29)30-24-10-13-33(14-11-24)27(34)3-2-12-31-15-17-32(18-16-31)26-8-5-23(28)6-9-26;1-21-5-8-26(29-20-21)32-16-14-31(15-17-32)11-3-4-27(34)33-12-9-24(10-13-33)30-25-7-6-23(19-28)22(2)18-25;1-22-5-9-25(10-6-22)30-20-18-29(19-21-30)15-3-4-27(32)31-16-13-24(14-17-31)28-23-7-11-26(33-2)12-8-23;1-19-3-5-22(17-24(19)26(27,28)29)31-21-7-11-34(12-8-21)25(35)9-10-32-13-15-33(16-14-32)23-6-4-20(2)30-18-23;/h2-12,23,26,29H,13-22H2,1H3;6-11,20,23-24,33H,3-5,12-19H2,1-2H3;4-9,18,22-23,32H,10-17,19H2,1-3H3;4-9,19,24,30H,2-3,10-18H2,1H3;5-8,18,20,24,30H,3-4,9-17H2,1-2H3;5-12,24,28H,3-4,13-21H2,1-2H3;3-6,17-18,21,31H,7-16H2,1-2H3;1H4
InChIKeyUIWZVPQVUIMOPC-UHFFFAOYSA-N
XLogP37.23
TPSA345.05 Ų
H-Bond Donors6
H-Bond Acceptors32
Rotatable Bonds49
Heavy Atoms250
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003483.93
LogP ≤ 537.23
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

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

Analyze 4-[[1-[4-[4-(4-chlorophenyl)piperazin-1-yl]butanoyl]piperidin-4-yl]amino]-2-methylbenzonitrile;methane;2-methyl-3-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;2-methyl-4-[[1-[4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]butanoyl]piperidin-4-yl]amino]benzonitrile;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-(4-methylsulfanylanilino)piperidin-1-yl]butan-1-one;4-[1-(4-methylphenyl)piperidin-4-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]butan-1-one;3-[4-(6-methyl-3-pyridinyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
3-[4-(4-chlorophenyl)piperazin-1-yl]-2-methyl-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;1-[4-[(4,5-dimethyl-2-pyridinyl)amino]piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butan-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;2-methyl-4-[[1-[2-methyl-3-[4-(4-methylphenyl)piperazin-1-yl]propanoyl]piperidin-4-yl]amino]benzonitrile;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[(2-methyl-4-pyridinyl)amino]piperidin-1-yl]butan-1-one
CID 160347222

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[4-[4-(4-chlorophenyl)piperazin-1-yl]butanoyl]piperidin-4-yl]amino]-2-methylbenzonitrile;methane;2-methyl-3-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;2-methyl-4-[[1-[4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]butanoyl]piperidin-4-yl]amino]benzonitrile;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-(4-methylsulfanylanilino)piperidin-1-yl]butan-1-one;4-[1-(4-methylphenyl)piperidin-4-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]butan-1-one;3-[4-(6-methyl-3-pyridinyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-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?
The IUPAC name of 4-[[1-[4-[4-(4-chlorophenyl)piperazin-1-yl]butanoyl]piperidin-4-yl]amino]-2-methylbenzonitrile;methane;2-methyl-3-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;2-methyl-4-[[1-[4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]butanoyl]piperidin-4-yl]amino]benzonitrile;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-(4-methylsulfanylanilino)piperidin-1-yl]butan-1-one;4-[1-(4-methylphenyl)piperidin-4-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]butan-1-one;3-[4-(6-methyl-3-pyridinyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-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 161104754) is 4-[[1-[4-[4-(4-chlorophenyl)piperazin-1-yl]butanoyl]piperidin-4-yl]amino]-2-methylbenzonitrile;methane;2-methyl-3-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;2-methyl-4-[[1-[4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]butanoyl]piperidin-4-yl]amino]benzonitrile;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-(4-methylsulfanylanilino)piperidin-1-yl]butan-1-one;4-[1-(4-methylphenyl)piperidin-4-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]butan-1-one;3-[4-(6-methyl-3-pyridinyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-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.
What is the SMILES notation for 4-[[1-[4-[4-(4-chlorophenyl)piperazin-1-yl]butanoyl]piperidin-4-yl]amino]-2-methylbenzonitrile;methane;2-methyl-3-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;2-methyl-4-[[1-[4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]butanoyl]piperidin-4-yl]amino]benzonitrile;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-(4-methylsulfanylanilino)piperidin-1-yl]butan-1-one;4-[1-(4-methylphenyl)piperidin-4-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]butan-1-one;3-[4-(6-methyl-3-pyridinyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-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?
The canonical SMILES for 4-[[1-[4-[4-(4-chlorophenyl)piperazin-1-yl]butanoyl]piperidin-4-yl]amino]-2-methylbenzonitrile;methane;2-methyl-3-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;2-methyl-4-[[1-[4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]butanoyl]piperidin-4-yl]amino]benzonitrile;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-(4-methylsulfanylanilino)piperidin-1-yl]butan-1-one;4-[1-(4-methylphenyl)piperidin-4-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]butan-1-one;3-[4-(6-methyl-3-pyridinyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-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 is C.CSc1ccc(NC2CCN(C(=O)CCCN3CCN(c4ccc(C)cc4)CC3)CC2)cc1.Cc1cc(NC2CCN(C(=O)CCCN3CCN(c4ccc(Cl)cc4)CC3)CC2)ccc1C#N.Cc1ccc(N2CCC(CCCC(=O)N3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1.Cc1ccc(N2CCN(CC(C)C(=O)N3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1.Cc1ccc(N2CCN(CCC(=O)N3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cn1.Cc1ccc(N2CCN(CCCC(=O)N3CCC(Nc4ccc(C#N)c(C)c4)CC3)CC2)nc1.Cc1ccc(OC2CCN(C(=O)CCN3CCC(c4ccc(Oc5ccccc5)cc4)CC3)CC2)cc1C(F)(F)F.
What is the InChIKey of 4-[[1-[4-[4-(4-chlorophenyl)piperazin-1-yl]butanoyl]piperidin-4-yl]amino]-2-methylbenzonitrile;methane;2-methyl-3-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;2-methyl-4-[[1-[4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]butanoyl]piperidin-4-yl]amino]benzonitrile;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-(4-methylsulfanylanilino)piperidin-1-yl]butan-1-one;4-[1-(4-methylphenyl)piperidin-4-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]butan-1-one;3-[4-(6-methyl-3-pyridinyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-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?
The InChIKey is UIWZVPQVUIMOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37F3N2O3.C29H38F3N3O.C28H37F3N4O.C27H34ClN5O.C27H36N6O.C27H38N4OS.C26H34F3N5O.CH4/c1-24-7-10-30(23-31(24)33(34,35)36)41-29-15-21-38(22-16-29)32(39)17-20-37-18-13-26(14-19-37)25-8-11-28(12-9-25)40-27-5-3-2-4-6-27;1-21-6-10-26(11-7-21)34-16-12-23(13-17-34)4-3-5-28(36)35-18-14-24(15-19-35)33-25-9-8-22(2)27(20-25)29(30,31)32;1-20-4-8-25(9-5-20)34-16-14-33(15-17-34)19-22(3)27(36)35-12-10-23(11-13-35)32-24-7-6-21(2)26(18-24)28(29,30)31;1-21-19-25(7-4-22(21)20-29)30-24-10-13-33(14-11-24)27(34)3-2-12-31-15-17-32(18-16-31)26-8-5-23(28)6-9-26;1-21-5-8-26(29-20-21)32-16-14-31(15-17-32)11-3-4-27(34)33-12-9-24(10-13-33)30-25-7-6-23(19-28)22(2)18-25;1-22-5-9-25(10-6-22)30-20-18-29(19-21-30)15-3-4-27(32)31-16-13-24(14-17-31)28-23-7-11-26(33-2)12-8-23;1-19-3-5-22(17-24(19)26(27,28)29)31-21-7-11-34(12-8-21)25(35)9-10-32-13-15-33(16-14-32)23-6-4-20(2)30-18-23;/h2-12,23,26,29H,13-22H2,1H3;6-11,20,23-24,33H,3-5,12-19H2,1-2H3;4-9,18,22-23,32H,10-17,19H2,1-3H3;4-9,19,24,30H,2-3,10-18H2,1H3;5-8,18,20,24,30H,3-4,9-17H2,1-2H3;5-12,24,28H,3-4,13-21H2,1-2H3;3-6,17-18,21,31H,7-16H2,1-2H3;1H4.
What are the key properties of 4-[[1-[4-[4-(4-chlorophenyl)piperazin-1-yl]butanoyl]piperidin-4-yl]amino]-2-methylbenzonitrile;methane;2-methyl-3-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;2-methyl-4-[[1-[4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]butanoyl]piperidin-4-yl]amino]benzonitrile;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-(4-methylsulfanylanilino)piperidin-1-yl]butan-1-one;4-[1-(4-methylphenyl)piperidin-4-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]butan-1-one;3-[4-(6-methyl-3-pyridinyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-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?
4-[[1-[4-[4-(4-chlorophenyl)piperazin-1-yl]butanoyl]piperidin-4-yl]amino]-2-methylbenzonitrile;methane;2-methyl-3-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;2-methyl-4-[[1-[4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]butanoyl]piperidin-4-yl]amino]benzonitrile;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-(4-methylsulfanylanilino)piperidin-1-yl]butan-1-one;4-[1-(4-methylphenyl)piperidin-4-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]butan-1-one;3-[4-(6-methyl-3-pyridinyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-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 has a molecular weight of 3483.93 g/mol, XLogP of 37.23, 49 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[4-[4-(4-chlorophenyl)piperazin-1-yl]butanoyl]piperidin-4-yl]amino]-2-methylbenzonitrile;methane;2-methyl-3-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;2-methyl-4-[[1-[4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]butanoyl]piperidin-4-yl]amino]benzonitrile;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-(4-methylsulfanylanilino)piperidin-1-yl]butan-1-one;4-[1-(4-methylphenyl)piperidin-4-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]butan-1-one;3-[4-(6-methyl-3-pyridinyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-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 is sourced from PubChem (CID 161104754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).