5-[3-(3,4-dichlorophenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;5-[3-(4-fluorophenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;5-[3-(furan-2-yl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-(3-oxooctyl)-3H-isoindol-1-one;2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]-5-[3-(6-methyl-3-pyridinyl)-3-oxopropyl]isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-[3-(4-methylphenyl)-3-oxopropyl]isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-(3-oxo-3-pyridin-2-ylpropyl)isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-(3-oxo-3-pyridin-4-ylpropyl)isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-(3-oxo-3-thiophen-2-ylpropyl)isoindole-1,3-dione

C209H199Cl2FN20O35S — CID 157428344

IUPAC5-[3-(3,4-dichlorophenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;5-[3-(4-fluorophenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;5-[3-(furan-2-yl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-(3-oxooctyl)-3H-isoindol-1-one;2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]-5-[3-(6-methyl-3-pyridinyl)-3-oxopropyl]isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-[3-(4-methylphenyl)-3-oxopropyl]isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-(3-oxo-3-pyridin-2-ylpropyl)isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-(3-oxo-3-pyridin-4-ylpropyl)isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-(3-oxo-3-thiophen-2-ylpropyl)isoindole-1,3-dione
SMILESC=C1CCC(N2Cc3cc(CCC(=O)CCCCC)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)c4ccco4)ccc3C2=O)C(=O)N1.C=C1CC[C@](C)(N2C(=O)c3ccc(CCC(=O)c4ccc(C)cc4)cc3C2=O)C(=O)N1.C=C1CC[C@](C)(N2C(=O)c3ccc(CCC(=O)c4ccc(C)nc4)cc3C2=O)C(=O)C1.C=C1CC[C@](C)(N2C(=O)c3ccc(CCC(=O)c4ccc(Cl)c(Cl)c4)cc3C2=O)C(=O)N1.C=C1CC[C@](C)(N2C(=O)c3ccc(CCC(=O)c4ccc(F)cc4)cc3C2=O)C(=O)N1.C=C1CC[C@](C)(N2C(=O)c3ccc(CCC(=O)c4ccccn4)cc3C2=O)C(=O)N1.C=C1CC[C@](C)(N2C(=O)c3ccc(CCC(=O)c4cccs4)cc3C2=O)C(=O)N1.C=C1CC[C@](C)(N2C(=O)c3ccc(CCC(=O)c4ccncc4)cc3C2=O)C(=O)N1
InChIInChI=1S/2C25H24N2O4.C24H20Cl2N2O4.C24H21FN2O4.2C23H21N3O4.C22H20N2O4S.C22H28N2O3.C21H20N2O4/c1-15-4-8-18(9-5-15)21(28)11-7-17-6-10-19-20(14-17)23(30)27(22(19)29)25(3)13-12-16(2)26-24(25)31;1-15-10-11-25(3,22(29)12-15)27-23(30)19-8-5-17(13-20(19)24(27)31)6-9-21(28)18-7-4-16(2)26-14-18;1-13-9-10-24(2,23(32)27-13)28-21(30)16-6-3-14(11-17(16)22(28)31)4-8-20(29)15-5-7-18(25)19(26)12-15;1-14-11-12-24(2,23(31)26-14)27-21(29)18-9-3-15(13-19(18)22(27)30)4-10-20(28)16-5-7-17(25)8-6-16;1-14-7-10-23(2,22(30)25-14)26-20(28)17-5-3-15(13-18(17)21(26)29)4-6-19(27)16-8-11-24-12-9-16;1-14-10-11-23(2,22(30)25-14)26-20(28)16-8-6-15(13-17(16)21(26)29)7-9-19(27)18-5-3-4-12-24-18;1-13-9-10-22(2,21(28)23-13)24-19(26)15-7-5-14(12-16(15)20(24)27)6-8-17(25)18-4-3-11-29-18;1-3-4-5-6-18(25)10-8-16-9-11-19-17(13-16)14-24(22(19)27)20-12-7-15(2)23-21(20)26;1-13-4-8-17(20(25)22-13)23-12-15-11-14(5-7-16(15)21(23)26)6-9-18(24)19-3-2-10-27-19/h4-6,8-10,14H,2,7,11-13H2,1,3H3,(H,26,31);4-5,7-8,13-14H,1,6,9-12H2,2-3H3;3,5-7,11-12H,1,4,8-10H2,2H3,(H,27,32);3,5-9,13H,1,4,10-12H2,2H3,(H,26,31);3,5,8-9,11-13H,1,4,6-7,10H2,2H3,(H,25,30);3-6,8,12-13H,1,7,9-11H2,2H3,(H,25,30);3-5,7,11-12H,1,6,8-10H2,2H3,(H,23,28);9,11,13,20H,2-8,10,12,14H2,1H3,(H,23,26);2-3,5,7,10-11,17H,1,4,6,8-9,12H2,(H,22,25)/t2*25-;2*24-;2*23-;22-;;/m0000000../s1
InChIKeyBQFQFCIWKFPXHZ-QGIWIGMLSA-N
MW3672.97 g/mol
LogP30.52
Rot. Bonds48

About 5-[3-(3,4-dichlorophenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;5-[3-(4-fluorophenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;5-[3-(furan-2-yl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-(3-oxooctyl)-3H-isoindol-1-one;2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]-5-[3-(6-methyl-3-pyridinyl)-3-oxopropyl]isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-[3-(4-methylphenyl)-3-oxopropyl]isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-(3-oxo-3-pyridin-2-ylpropyl)isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-(3-oxo-3-pyridin-4-ylpropyl)isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-(3-oxo-3-thiophen-2-ylpropyl)isoindole-1,3-dione

5-[3-(3,4-dichlorophenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;5-[3-(4-fluorophenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;5-[3-(furan-2-yl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-(3-oxooctyl)-3H-isoindol-1-one;2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]-5-[3-(6-methyl-3-pyridinyl)-3-oxopropyl]isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-[3-(4-methylphenyl)-3-oxopropyl]isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-(3-oxo-3-pyridin-2-ylpropyl)isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-(3-oxo-3-pyridin-4-ylpropyl)isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-(3-oxo-3-thiophen-2-ylpropyl)isoindole-1,3-dione (PubChem CID 157428344) has the molecular formula C209H199Cl2FN20O35S and a molecular weight of 3672.97 g/mol. Its IUPAC name is 5-[3-(3,4-dichlorophenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;5-[3-(4-fluorophenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;5-[3-(furan-2-yl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-(3-oxooctyl)-3H-isoindol-1-one;2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]-5-[3-(6-methyl-3-pyridinyl)-3-oxopropyl]isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-[3-(4-methylphenyl)-3-oxopropyl]isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-(3-oxo-3-pyridin-2-ylpropyl)isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-(3-oxo-3-pyridin-4-ylpropyl)isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-(3-oxo-3-thiophen-2-ylpropyl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-[3-(3,4-dichlorophenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;5-[3-(4-fluorophenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;5-[3-(furan-2-yl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-(3-oxooctyl)-3H-isoindol-1-one;2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]-5-[3-(6-methyl-3-pyridinyl)-3-oxopropyl]isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-[3-(4-methylphenyl)-3-oxopropyl]isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-(3-oxo-3-pyridin-2-ylpropyl)isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-(3-oxo-3-pyridin-4-ylpropyl)isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-(3-oxo-3-thiophen-2-ylpropyl)isoindole-1,3-dione
PubChem CID157428344
Molecular FormulaC209H199Cl2FN20O35S
Molecular Weight3672.97 g/mol
Exact Mass3669.35
IUPAC Name5-[3-(3,4-dichlorophenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;5-[3-(4-fluorophenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;5-[3-(furan-2-yl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-(3-oxooctyl)-3H-isoindol-1-one;2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]-5-[3-(6-methyl-3-pyridinyl)-3-oxopropyl]isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-[3-(4-methylphenyl)-3-oxopropyl]isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-(3-oxo-3-pyridin-2-ylpropyl)isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-(3-oxo-3-pyridin-4-ylpropyl)isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-(3-oxo-3-thiophen-2-ylpropyl)isoindole-1,3-dione
SMILESC=C1CCC(N2Cc3cc(CCC(=O)CCCCC)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)c4ccco4)ccc3C2=O)C(=O)N1.C=C1CC[C@](C)(N2C(=O)c3ccc(CCC(=O)c4ccc(C)cc4)cc3C2=O)C(=O)N1.C=C1CC[C@](C)(N2C(=O)c3ccc(CCC(=O)c4ccc(C)nc4)cc3C2=O)C(=O)C1.C=C1CC[C@](C)(N2C(=O)c3ccc(CCC(=O)c4ccc(Cl)c(Cl)c4)cc3C2=O)C(=O)N1.C=C1CC[C@](C)(N2C(=O)c3ccc(CCC(=O)c4ccc(F)cc4)cc3C2=O)C(=O)N1.C=C1CC[C@](C)(N2C(=O)c3ccc(CCC(=O)c4ccccn4)cc3C2=O)C(=O)N1.C=C1CC[C@](C)(N2C(=O)c3ccc(CCC(=O)c4cccs4)cc3C2=O)C(=O)N1.C=C1CC[C@](C)(N2C(=O)c3ccc(CCC(=O)c4ccncc4)cc3C2=O)C(=O)N1
InChIInChI=1S/2C25H24N2O4.C24H20Cl2N2O4.C24H21FN2O4.2C23H21N3O4.C22H20N2O4S.C22H28N2O3.C21H20N2O4/c1-15-4-8-18(9-5-15)21(28)11-7-17-6-10-19-20(14-17)23(30)27(22(19)29)25(3)13-12-16(2)26-24(25)31;1-15-10-11-25(3,22(29)12-15)27-23(30)19-8-5-17(13-20(19)24(27)31)6-9-21(28)18-7-4-16(2)26-14-18;1-13-9-10-24(2,23(32)27-13)28-21(30)16-6-3-14(11-17(16)22(28)31)4-8-20(29)15-5-7-18(25)19(26)12-15;1-14-11-12-24(2,23(31)26-14)27-21(29)18-9-3-15(13-19(18)22(27)30)4-10-20(28)16-5-7-17(25)8-6-16;1-14-7-10-23(2,22(30)25-14)26-20(28)17-5-3-15(13-18(17)21(26)29)4-6-19(27)16-8-11-24-12-9-16;1-14-10-11-23(2,22(30)25-14)26-20(28)16-8-6-15(13-17(16)21(26)29)7-9-19(27)18-5-3-4-12-24-18;1-13-9-10-22(2,21(28)23-13)24-19(26)15-7-5-14(12-16(15)20(24)27)6-8-17(25)18-4-3-11-29-18;1-3-4-5-6-18(25)10-8-16-9-11-19-17(13-16)14-24(22(19)27)20-12-7-15(2)23-21(20)26;1-13-4-8-17(20(25)22-13)23-12-15-11-14(5-7-16(15)21(23)26)6-9-18(24)19-3-2-10-27-19/h4-6,8-10,14H,2,7,11-13H2,1,3H3,(H,26,31);4-5,7-8,13-14H,1,6,9-12H2,2-3H3;3,5-7,11-12H,1,4,8-10H2,2H3,(H,27,32);3,5-9,13H,1,4,10-12H2,2H3,(H,26,31);3,5,8-9,11-13H,1,4,6-7,10H2,2H3,(H,25,30);3-6,8,12-13H,1,7,9-11H2,2H3,(H,25,30);3-5,7,11-12H,1,6,8-10H2,2H3,(H,23,28);9,11,13,20H,2-8,10,12,14H2,1H3,(H,23,26);2-3,5,7,10-11,17H,1,4,6,8-9,12H2,(H,22,25)/t2*25-;2*24-;2*23-;22-;;/m0000000../s1
InChIKeyBQFQFCIWKFPXHZ-QGIWIGMLSA-N
XLogP30.52
TPSA757.59 Ų
H-Bond Donors8
H-Bond Acceptors39
Rotatable Bonds48
Heavy Atoms268
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003672.97
LogP ≤ 530.52
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1039

Analyze 5-[3-(3,4-dichlorophenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;5-[3-(4-fluorophenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;5-[3-(furan-2-yl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-(3-oxooctyl)-3H-isoindol-1-one;2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]-5-[3-(6-methyl-3-pyridinyl)-3-oxopropyl]isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-[3-(4-methylphenyl)-3-oxopropyl]isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-(3-oxo-3-pyridin-2-ylpropyl)isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-(3-oxo-3-pyridin-4-ylpropyl)isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-(3-oxo-3-thiophen-2-ylpropyl)isoindole-1,3-dione with MolForge

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Related Compounds

5-[3-(4-chlorophenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-(3-cyclopropyl-3-oxopropyl)-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(3,4-dichlorophenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-(5,5-dimethyl-3-oxohexyl)-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(5-ethoxy-2-pyridinyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;5-[3-(6-ethylsulfanylpyridazin-3-yl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;N-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]pyridine-2-carboxamide;2-(6-methylidene-2-oxopiperidin-3-yl)-5-(3-oxoheptyl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-(3-oxo-3-quinolin-2-ylpropyl)isoindole-1,3-dione
CID 157423656
5-[4-(5-chloro-2-methoxyphenyl)-3-oxobutyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[4-(2-chloro-5-methylphenyl)-3-oxobutyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[4-(2-chloro-6-methylphenyl)-3-oxobutyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[4-(5-chloro-2-methylphenyl)-3-oxobutyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[4-(3-chloro-4-methylphenyl)-3-oxobutyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;5-[4-(2,5-dichlorophenyl)-3-oxobutyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[4-(3-methoxyphenyl)-3-oxobutyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[4-methyl-3-(trifluoromethyl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-(3-oxo-4-phenylbutyl)isoindole-1,3-dione
CID 159219121
2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[3-(morpholin-4-ylmethyl)phenyl]-3-oxopropyl]-3H-isoindol-1-one
CID 148524226
2-[(1S)-1-methyl-2,4-dioxocyclohexyl]-5-(3-oxo-3-pyridin-4-ylpropyl)isoindole-1,3-dione
CID 158943825
5-[4-(2-hydroxy-4,5-dimethylphenyl)-3-oxobutyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one
CID 158701068
8-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-6-oxooctanoic acid
CID 148674533
5-[4-(4-tert-butylphenyl)-3-oxobutyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[4-(2,3-dihydro-1-benzofuran-5-yl)-3-oxobutyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[4-(4-ethylsulfanylphenyl)-3-oxobutyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-(3-isoquinolin-6-yl-3-oxopropyl)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-(3-isoquinolin-7-yl-3-oxopropyl)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[3-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-(4-methylphenyl)-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[2-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-oxopropyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-(4-propan-2-ylphenyl)butyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-(3-oxo-3-quinolin-7-ylpropyl)-3H-isoindol-1-one;sulfur dioxide
CID 159168316
5-[3-(2-chlorophenyl)-3-oxopropyl]-2-(4-methylidene-2-oxocyclohexyl)-3H-isoindol-1-one;5-[3-(3-chlorophenyl)-3-oxopropyl]-2-(4-methylidene-2-oxocyclohexyl)-3H-isoindol-1-one;5-[3-(4-ethoxyphenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[3-(6-ethoxypyridazin-3-yl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[3-(6-ethoxy-3-pyridinyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[3-(4-ethylsulfanylphenyl)-3-oxopropyl]-2-(4-methylidene-2-oxocyclohexyl)-3H-isoindol-1-one;5-[3-(4-ethylsulfonylphenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(4-methylidene-2-oxocyclohexyl)-5-[3-(4-methylsulfonylphenyl)-3-oxopropyl]-3H-isoindol-1-one
CID 157327479
5-[[(1R,2R)-2-[2-(2-fluoro-3-pyridinyl)ethyl]cyclohexyl]methyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one
CID 170412076
5-acetyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one
CID 165102713
3-[6-[4-(3-chloro-2-methylphenyl)-4,4-difluoro-3-oxobutyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 159904770
4-[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2-oxobutyl]cyclohexane-1-carboxamide
CID 158644809

Frequently Asked Questions

What is the IUPAC name of 5-[3-(3,4-dichlorophenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;5-[3-(4-fluorophenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;5-[3-(furan-2-yl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-(3-oxooctyl)-3H-isoindol-1-one;2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]-5-[3-(6-methyl-3-pyridinyl)-3-oxopropyl]isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-[3-(4-methylphenyl)-3-oxopropyl]isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-(3-oxo-3-pyridin-2-ylpropyl)isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-(3-oxo-3-pyridin-4-ylpropyl)isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-(3-oxo-3-thiophen-2-ylpropyl)isoindole-1,3-dione?
The IUPAC name of 5-[3-(3,4-dichlorophenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;5-[3-(4-fluorophenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;5-[3-(furan-2-yl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-(3-oxooctyl)-3H-isoindol-1-one;2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]-5-[3-(6-methyl-3-pyridinyl)-3-oxopropyl]isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-[3-(4-methylphenyl)-3-oxopropyl]isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-(3-oxo-3-pyridin-2-ylpropyl)isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-(3-oxo-3-pyridin-4-ylpropyl)isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-(3-oxo-3-thiophen-2-ylpropyl)isoindole-1,3-dione (CID 157428344) is 5-[3-(3,4-dichlorophenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;5-[3-(4-fluorophenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;5-[3-(furan-2-yl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-(3-oxooctyl)-3H-isoindol-1-one;2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]-5-[3-(6-methyl-3-pyridinyl)-3-oxopropyl]isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-[3-(4-methylphenyl)-3-oxopropyl]isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-(3-oxo-3-pyridin-2-ylpropyl)isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-(3-oxo-3-pyridin-4-ylpropyl)isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-(3-oxo-3-thiophen-2-ylpropyl)isoindole-1,3-dione.
What is the SMILES notation for 5-[3-(3,4-dichlorophenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;5-[3-(4-fluorophenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;5-[3-(furan-2-yl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-(3-oxooctyl)-3H-isoindol-1-one;2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]-5-[3-(6-methyl-3-pyridinyl)-3-oxopropyl]isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-[3-(4-methylphenyl)-3-oxopropyl]isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-(3-oxo-3-pyridin-2-ylpropyl)isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-(3-oxo-3-pyridin-4-ylpropyl)isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-(3-oxo-3-thiophen-2-ylpropyl)isoindole-1,3-dione?
The canonical SMILES for 5-[3-(3,4-dichlorophenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;5-[3-(4-fluorophenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;5-[3-(furan-2-yl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-(3-oxooctyl)-3H-isoindol-1-one;2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]-5-[3-(6-methyl-3-pyridinyl)-3-oxopropyl]isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-[3-(4-methylphenyl)-3-oxopropyl]isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-(3-oxo-3-pyridin-2-ylpropyl)isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-(3-oxo-3-pyridin-4-ylpropyl)isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-(3-oxo-3-thiophen-2-ylpropyl)isoindole-1,3-dione is C=C1CCC(N2Cc3cc(CCC(=O)CCCCC)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)c4ccco4)ccc3C2=O)C(=O)N1.C=C1CC[C@](C)(N2C(=O)c3ccc(CCC(=O)c4ccc(C)cc4)cc3C2=O)C(=O)N1.C=C1CC[C@](C)(N2C(=O)c3ccc(CCC(=O)c4ccc(C)nc4)cc3C2=O)C(=O)C1.C=C1CC[C@](C)(N2C(=O)c3ccc(CCC(=O)c4ccc(Cl)c(Cl)c4)cc3C2=O)C(=O)N1.C=C1CC[C@](C)(N2C(=O)c3ccc(CCC(=O)c4ccc(F)cc4)cc3C2=O)C(=O)N1.C=C1CC[C@](C)(N2C(=O)c3ccc(CCC(=O)c4ccccn4)cc3C2=O)C(=O)N1.C=C1CC[C@](C)(N2C(=O)c3ccc(CCC(=O)c4cccs4)cc3C2=O)C(=O)N1.C=C1CC[C@](C)(N2C(=O)c3ccc(CCC(=O)c4ccncc4)cc3C2=O)C(=O)N1.
What is the InChIKey of 5-[3-(3,4-dichlorophenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;5-[3-(4-fluorophenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;5-[3-(furan-2-yl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-(3-oxooctyl)-3H-isoindol-1-one;2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]-5-[3-(6-methyl-3-pyridinyl)-3-oxopropyl]isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-[3-(4-methylphenyl)-3-oxopropyl]isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-(3-oxo-3-pyridin-2-ylpropyl)isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-(3-oxo-3-pyridin-4-ylpropyl)isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-(3-oxo-3-thiophen-2-ylpropyl)isoindole-1,3-dione?
The InChIKey is BQFQFCIWKFPXHZ-QGIWIGMLSA-N. The full InChI is InChI=1S/2C25H24N2O4.C24H20Cl2N2O4.C24H21FN2O4.2C23H21N3O4.C22H20N2O4S.C22H28N2O3.C21H20N2O4/c1-15-4-8-18(9-5-15)21(28)11-7-17-6-10-19-20(14-17)23(30)27(22(19)29)25(3)13-12-16(2)26-24(25)31;1-15-10-11-25(3,22(29)12-15)27-23(30)19-8-5-17(13-20(19)24(27)31)6-9-21(28)18-7-4-16(2)26-14-18;1-13-9-10-24(2,23(32)27-13)28-21(30)16-6-3-14(11-17(16)22(28)31)4-8-20(29)15-5-7-18(25)19(26)12-15;1-14-11-12-24(2,23(31)26-14)27-21(29)18-9-3-15(13-19(18)22(27)30)4-10-20(28)16-5-7-17(25)8-6-16;1-14-7-10-23(2,22(30)25-14)26-20(28)17-5-3-15(13-18(17)21(26)29)4-6-19(27)16-8-11-24-12-9-16;1-14-10-11-23(2,22(30)25-14)26-20(28)16-8-6-15(13-17(16)21(26)29)7-9-19(27)18-5-3-4-12-24-18;1-13-9-10-22(2,21(28)23-13)24-19(26)15-7-5-14(12-16(15)20(24)27)6-8-17(25)18-4-3-11-29-18;1-3-4-5-6-18(25)10-8-16-9-11-19-17(13-16)14-24(22(19)27)20-12-7-15(2)23-21(20)26;1-13-4-8-17(20(25)22-13)23-12-15-11-14(5-7-16(15)21(23)26)6-9-18(24)19-3-2-10-27-19/h4-6,8-10,14H,2,7,11-13H2,1,3H3,(H,26,31);4-5,7-8,13-14H,1,6,9-12H2,2-3H3;3,5-7,11-12H,1,4,8-10H2,2H3,(H,27,32);3,5-9,13H,1,4,10-12H2,2H3,(H,26,31);3,5,8-9,11-13H,1,4,6-7,10H2,2H3,(H,25,30);3-6,8,12-13H,1,7,9-11H2,2H3,(H,25,30);3-5,7,11-12H,1,6,8-10H2,2H3,(H,23,28);9,11,13,20H,2-8,10,12,14H2,1H3,(H,23,26);2-3,5,7,10-11,17H,1,4,6,8-9,12H2,(H,22,25)/t2*25-;2*24-;2*23-;22-;;/m0000000../s1.
What are the key properties of 5-[3-(3,4-dichlorophenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;5-[3-(4-fluorophenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;5-[3-(furan-2-yl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-(3-oxooctyl)-3H-isoindol-1-one;2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]-5-[3-(6-methyl-3-pyridinyl)-3-oxopropyl]isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-[3-(4-methylphenyl)-3-oxopropyl]isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-(3-oxo-3-pyridin-2-ylpropyl)isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-(3-oxo-3-pyridin-4-ylpropyl)isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-(3-oxo-3-thiophen-2-ylpropyl)isoindole-1,3-dione?
5-[3-(3,4-dichlorophenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;5-[3-(4-fluorophenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;5-[3-(furan-2-yl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-(3-oxooctyl)-3H-isoindol-1-one;2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]-5-[3-(6-methyl-3-pyridinyl)-3-oxopropyl]isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-[3-(4-methylphenyl)-3-oxopropyl]isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-(3-oxo-3-pyridin-2-ylpropyl)isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-(3-oxo-3-pyridin-4-ylpropyl)isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-(3-oxo-3-thiophen-2-ylpropyl)isoindole-1,3-dione has a molecular weight of 3672.97 g/mol, XLogP of 30.52, 48 rotatable bonds, 8 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3,4-dichlorophenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;5-[3-(4-fluorophenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;5-[3-(furan-2-yl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-(3-oxooctyl)-3H-isoindol-1-one;2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]-5-[3-(6-methyl-3-pyridinyl)-3-oxopropyl]isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-[3-(4-methylphenyl)-3-oxopropyl]isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-(3-oxo-3-pyridin-2-ylpropyl)isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-(3-oxo-3-pyridin-4-ylpropyl)isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-(3-oxo-3-thiophen-2-ylpropyl)isoindole-1,3-dione is sourced from PubChem (CID 157428344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).