5-[3-(4-chlorophenyl)-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-(6-ethylsulfanylpyridazin-3-yl)-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)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

C181H168Cl3N21O33S — CID 162242652

IUPAC5-[3-(4-chlorophenyl)-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-(6-ethylsulfanylpyridazin-3-yl)-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)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
SMILESC=C1CCC(N2C(=O)c3ccc(CCC(=O)CC(C)(C)C)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(CCC(=O)CCCC)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(CCC(=O)c4ccc(Cl)c(Cl)c4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(CCC(=O)c4ccc(Cl)cc4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(CCC(=O)c4ccc5ccccc5n4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(CCC(=O)c4ccco4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(CNC(=O)c4ccccn4)cc3C2=O)C(=O)N1.C=C1CC[C@](C)(N2C(=O)c3ccc(CCC(=O)c4ccc(SCC)nn4)cc3C2=O)C(=O)N1
InChIInChI=1S/C26H21N3O4.C24H24N4O4S.C23H18Cl2N2O4.C23H19ClN2O4.C22H26N2O4.C21H18N4O4.C21H18N2O5.C21H24N2O4/c1-15-6-12-22(24(31)27-15)29-25(32)18-10-7-16(14-19(18)26(29)33)8-13-23(30)21-11-9-17-4-2-3-5-20(17)28-21;1-4-33-20-10-8-18(26-27-20)19(29)9-6-15-5-7-16-17(13-15)22(31)28(21(16)30)24(3)12-11-14(2)25-23(24)32;1-12-2-8-19(21(29)26-12)27-22(30)15-6-3-13(10-16(15)23(27)31)4-9-20(28)14-5-7-17(24)18(25)11-14;1-13-2-10-19(21(28)25-13)26-22(29)17-9-3-14(12-18(17)23(26)30)4-11-20(27)15-5-7-16(24)8-6-15;1-13-5-10-18(19(26)23-13)24-20(27)16-9-7-14(11-17(16)21(24)28)6-8-15(25)12-22(2,3)4;1-12-5-8-17(19(27)24-12)25-20(28)14-7-6-13(10-15(14)21(25)29)11-23-18(26)16-4-2-3-9-22-16;1-12-4-8-16(19(25)22-12)23-20(26)14-7-5-13(11-15(14)21(23)27)6-9-17(24)18-3-2-10-28-18;1-3-4-5-15(24)9-7-14-8-10-16-17(12-14)21(27)23(20(16)26)18-11-6-13(2)22-19(18)25/h2-5,7,9-11,14,22H,1,6,8,12-13H2,(H,27,31);5,7-8,10,13H,2,4,6,9,11-12H2,1,3H3,(H,25,32);3,5-7,10-11,19H,1-2,4,8-9H2,(H,26,29);3,5-9,12,19H,1-2,4,10-11H2,(H,25,28);7,9,11,18H,1,5-6,8,10,12H2,2-4H3,(H,23,26);2-4,6-7,9-10,17H,1,5,8,11H2,(H,23,26)(H,24,27);2-3,5,7,10-11,16H,1,4,6,8-9H2,(H,22,25);8,10,12,18H,2-7,9,11H2,1H3,(H,22,25)/t;24-;;;;;;/m.0....../s1
InChIKeyZWXGTWKBEYFDIO-SPIZFORDSA-N
MW3303.87 g/mol
LogP24.02
Rot. Bonds43

About 5-[3-(4-chlorophenyl)-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-(6-ethylsulfanylpyridazin-3-yl)-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)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

5-[3-(4-chlorophenyl)-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-(6-ethylsulfanylpyridazin-3-yl)-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)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 (PubChem CID 162242652) has the molecular formula C181H168Cl3N21O33S and a molecular weight of 3303.87 g/mol. Its IUPAC name is 5-[3-(4-chlorophenyl)-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-(6-ethylsulfanylpyridazin-3-yl)-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)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.

Molecular Properties

Compound Name5-[3-(4-chlorophenyl)-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-(6-ethylsulfanylpyridazin-3-yl)-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)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
PubChem CID162242652
Molecular FormulaC181H168Cl3N21O33S
Molecular Weight3303.87 g/mol
Exact Mass3300.09
IUPAC Name5-[3-(4-chlorophenyl)-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-(6-ethylsulfanylpyridazin-3-yl)-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)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
SMILESC=C1CCC(N2C(=O)c3ccc(CCC(=O)CC(C)(C)C)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(CCC(=O)CCCC)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(CCC(=O)c4ccc(Cl)c(Cl)c4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(CCC(=O)c4ccc(Cl)cc4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(CCC(=O)c4ccc5ccccc5n4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(CCC(=O)c4ccco4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(CNC(=O)c4ccccn4)cc3C2=O)C(=O)N1.C=C1CC[C@](C)(N2C(=O)c3ccc(CCC(=O)c4ccc(SCC)nn4)cc3C2=O)C(=O)N1
InChIInChI=1S/C26H21N3O4.C24H24N4O4S.C23H18Cl2N2O4.C23H19ClN2O4.C22H26N2O4.C21H18N4O4.C21H18N2O5.C21H24N2O4/c1-15-6-12-22(24(31)27-15)29-25(32)18-10-7-16(14-19(18)26(29)33)8-13-23(30)21-11-9-17-4-2-3-5-20(17)28-21;1-4-33-20-10-8-18(26-27-20)19(29)9-6-15-5-7-16-17(13-15)22(31)28(21(16)30)24(3)12-11-14(2)25-23(24)32;1-12-2-8-19(21(29)26-12)27-22(30)15-6-3-13(10-16(15)23(27)31)4-9-20(28)14-5-7-17(24)18(25)11-14;1-13-2-10-19(21(28)25-13)26-22(29)17-9-3-14(12-18(17)23(26)30)4-11-20(27)15-5-7-16(24)8-6-15;1-13-5-10-18(19(26)23-13)24-20(27)16-9-7-14(11-17(16)21(24)28)6-8-15(25)12-22(2,3)4;1-12-5-8-17(19(27)24-12)25-20(28)14-7-6-13(10-15(14)21(25)29)11-23-18(26)16-4-2-3-9-22-16;1-12-4-8-16(19(25)22-12)23-20(26)14-7-5-13(11-15(14)21(23)27)6-9-17(24)18-3-2-10-28-18;1-3-4-5-15(24)9-7-14-8-10-16-17(12-14)21(27)23(20(16)26)18-11-6-13(2)22-19(18)25/h2-5,7,9-11,14,22H,1,6,8,12-13H2,(H,27,31);5,7-8,10,13H,2,4,6,9,11-12H2,1,3H3,(H,25,32);3,5-7,10-11,19H,1-2,4,8-9H2,(H,26,29);3,5-9,12,19H,1-2,4,10-11H2,(H,25,28);7,9,11,18H,1,5-6,8,10,12H2,2-4H3,(H,23,26);2-4,6-7,9-10,17H,1,5,8,11H2,(H,23,26)(H,24,27);2-3,5,7,10-11,16H,1,4,6,8-9H2,(H,22,25);8,10,12,18H,2-7,9,11H2,1H3,(H,22,25)/t;24-;;;;;;/m.0....../s1
InChIKeyZWXGTWKBEYFDIO-SPIZFORDSA-N
XLogP24.02
TPSA745.13 Ų
H-Bond Donors9
H-Bond Acceptors38
Rotatable Bonds43
Heavy Atoms239
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003303.87
LogP ≤ 524.02
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 5-[3-(4-chlorophenyl)-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-(6-ethylsulfanylpyridazin-3-yl)-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)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 with MolForge

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Related Compounds

5-[3-(3,4-dichlorophenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;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-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-3-[4-(trifluoromethoxy)phenyl]propyl]-3H-isoindol-1-one;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
CID 160819230
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-[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

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-chlorophenyl)-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-(6-ethylsulfanylpyridazin-3-yl)-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)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?
The IUPAC name of 5-[3-(4-chlorophenyl)-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-(6-ethylsulfanylpyridazin-3-yl)-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)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 162242652) is 5-[3-(4-chlorophenyl)-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-(6-ethylsulfanylpyridazin-3-yl)-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)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.
What is the SMILES notation for 5-[3-(4-chlorophenyl)-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-(6-ethylsulfanylpyridazin-3-yl)-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)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?
The canonical SMILES for 5-[3-(4-chlorophenyl)-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-(6-ethylsulfanylpyridazin-3-yl)-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)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 is C=C1CCC(N2C(=O)c3ccc(CCC(=O)CC(C)(C)C)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(CCC(=O)CCCC)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(CCC(=O)c4ccc(Cl)c(Cl)c4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(CCC(=O)c4ccc(Cl)cc4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(CCC(=O)c4ccc5ccccc5n4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(CCC(=O)c4ccco4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(CNC(=O)c4ccccn4)cc3C2=O)C(=O)N1.C=C1CC[C@](C)(N2C(=O)c3ccc(CCC(=O)c4ccc(SCC)nn4)cc3C2=O)C(=O)N1.
What is the InChIKey of 5-[3-(4-chlorophenyl)-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-(6-ethylsulfanylpyridazin-3-yl)-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)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?
The InChIKey is ZWXGTWKBEYFDIO-SPIZFORDSA-N. The full InChI is InChI=1S/C26H21N3O4.C24H24N4O4S.C23H18Cl2N2O4.C23H19ClN2O4.C22H26N2O4.C21H18N4O4.C21H18N2O5.C21H24N2O4/c1-15-6-12-22(24(31)27-15)29-25(32)18-10-7-16(14-19(18)26(29)33)8-13-23(30)21-11-9-17-4-2-3-5-20(17)28-21;1-4-33-20-10-8-18(26-27-20)19(29)9-6-15-5-7-16-17(13-15)22(31)28(21(16)30)24(3)12-11-14(2)25-23(24)32;1-12-2-8-19(21(29)26-12)27-22(30)15-6-3-13(10-16(15)23(27)31)4-9-20(28)14-5-7-17(24)18(25)11-14;1-13-2-10-19(21(28)25-13)26-22(29)17-9-3-14(12-18(17)23(26)30)4-11-20(27)15-5-7-16(24)8-6-15;1-13-5-10-18(19(26)23-13)24-20(27)16-9-7-14(11-17(16)21(24)28)6-8-15(25)12-22(2,3)4;1-12-5-8-17(19(27)24-12)25-20(28)14-7-6-13(10-15(14)21(25)29)11-23-18(26)16-4-2-3-9-22-16;1-12-4-8-16(19(25)22-12)23-20(26)14-7-5-13(11-15(14)21(23)27)6-9-17(24)18-3-2-10-28-18;1-3-4-5-15(24)9-7-14-8-10-16-17(12-14)21(27)23(20(16)26)18-11-6-13(2)22-19(18)25/h2-5,7,9-11,14,22H,1,6,8,12-13H2,(H,27,31);5,7-8,10,13H,2,4,6,9,11-12H2,1,3H3,(H,25,32);3,5-7,10-11,19H,1-2,4,8-9H2,(H,26,29);3,5-9,12,19H,1-2,4,10-11H2,(H,25,28);7,9,11,18H,1,5-6,8,10,12H2,2-4H3,(H,23,26);2-4,6-7,9-10,17H,1,5,8,11H2,(H,23,26)(H,24,27);2-3,5,7,10-11,16H,1,4,6,8-9H2,(H,22,25);8,10,12,18H,2-7,9,11H2,1H3,(H,22,25)/t;24-;;;;;;/m.0....../s1.
What are the key properties of 5-[3-(4-chlorophenyl)-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-(6-ethylsulfanylpyridazin-3-yl)-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)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?
5-[3-(4-chlorophenyl)-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-(6-ethylsulfanylpyridazin-3-yl)-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)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 has a molecular weight of 3303.87 g/mol, XLogP of 24.02, 43 rotatable bonds, 9 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-chlorophenyl)-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-(6-ethylsulfanylpyridazin-3-yl)-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)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 is sourced from PubChem (CID 162242652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).