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

C225H218Cl7F3N18O32 — CID 159219121

IUPAC5-[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
SMILESC=C1CCC(N2C(=O)c3ccc(CCC(=O)Cc4cccc(OC)c4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(CCC(=O)Cc4ccccc4)cc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)Cc4c(C)cccc4Cl)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)Cc4cc(C)ccc4Cl)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)Cc4cc(Cl)ccc4C)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)Cc4cc(Cl)ccc4Cl)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)Cc4cc(Cl)ccc4OC)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)Cc4ccc(C)c(C(F)(F)F)c4)ccc3C2=O)C(=O)N1.C=C1CC[C@](C)(N2C(=O)c3ccc(CCC(=O)Cc4ccc(C)c(Cl)c4)cc3C2=O)C(=O)N1
InChIInChI=1S/C26H25ClN2O4.C26H25F3N2O3.C25H25ClN2O4.3C25H25ClN2O3.C25H24N2O5.C24H22Cl2N2O3.C24H22N2O4/c1-15-4-5-18(14-22(15)27)12-19(30)8-6-17-7-9-20-21(13-17)24(32)29(23(20)31)26(3)11-10-16(2)28-25(26)33;1-15-3-5-18(13-22(15)26(27,28)29)12-20(32)8-6-17-7-9-21-19(11-17)14-31(25(21)34)23-10-4-16(2)30-24(23)33;1-15-3-9-22(24(30)27-15)28-14-18-11-16(5-8-21(18)25(28)31)4-7-20(29)13-17-12-19(26)6-10-23(17)32-2;1-15-3-9-22(26)18(11-15)13-20(29)7-5-17-6-8-21-19(12-17)14-28(25(21)31)23-10-4-16(2)27-24(23)30;1-15-3-7-20(26)12-18(15)13-21(29)8-5-17-6-9-22-19(11-17)14-28(25(22)31)23-10-4-16(2)27-24(23)30;1-15-4-3-5-22(26)21(15)13-19(29)9-7-17-8-10-20-18(12-17)14-28(25(20)31)23-11-6-16(2)27-24(23)30;1-15-6-11-22(23(29)26-15)27-24(30)20-10-8-16(14-21(20)25(27)31)7-9-18(28)12-17-4-3-5-19(13-17)32-2;1-14-2-9-22(23(30)27-14)28-13-17-10-15(4-7-20(17)24(28)31)3-6-19(29)12-16-11-18(25)5-8-21(16)26;1-15-7-12-21(22(28)25-15)26-23(29)19-11-9-17(14-20(19)24(26)30)8-10-18(27)13-16-5-3-2-4-6-16/h4-5,7,9,13-14H,2,6,8,10-12H2,1,3H3,(H,28,33);3,5,7,9,11,13,23H,2,4,6,8,10,12,14H2,1H3,(H,30,33);5-6,8,10-12,22H,1,3-4,7,9,13-14H2,2H3,(H,27,30);3,6,8-9,11-12,23H,2,4-5,7,10,13-14H2,1H3,(H,27,30);3,6-7,9,11-12,23H,2,4-5,8,10,13-14H2,1H3,(H,27,30);3-5,8,10,12,23H,2,6-7,9,11,13-14H2,1H3,(H,27,30);3-5,8,10,13-14,22H,1,6-7,9,11-12H2,2H3,(H,26,29);4-5,7-8,10-11,22H,1-3,6,9,12-13H2,(H,27,30);2-6,9,11,14,21H,1,7-8,10,12-13H2,(H,25,28)/t26-;;;;;;;;/m0......../s1
InChIKeyKRLMNGIBXOMHPH-XYXIYLDGSA-N
MW3991.48 g/mol
LogP35.07
Rot. Bonds56

About 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

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 (PubChem CID 159219121) has the molecular formula C225H218Cl7F3N18O32 and a molecular weight of 3991.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[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
PubChem CID159219121
Molecular FormulaC225H218Cl7F3N18O32
Molecular Weight3991.48 g/mol
Exact Mass3985.38
IUPAC Name5-[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
SMILESC=C1CCC(N2C(=O)c3ccc(CCC(=O)Cc4cccc(OC)c4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(CCC(=O)Cc4ccccc4)cc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)Cc4c(C)cccc4Cl)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)Cc4cc(C)ccc4Cl)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)Cc4cc(Cl)ccc4C)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)Cc4cc(Cl)ccc4Cl)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)Cc4cc(Cl)ccc4OC)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)Cc4ccc(C)c(C(F)(F)F)c4)ccc3C2=O)C(=O)N1.C=C1CC[C@](C)(N2C(=O)c3ccc(CCC(=O)Cc4ccc(C)c(Cl)c4)cc3C2=O)C(=O)N1
InChIInChI=1S/C26H25ClN2O4.C26H25F3N2O3.C25H25ClN2O4.3C25H25ClN2O3.C25H24N2O5.C24H22Cl2N2O3.C24H22N2O4/c1-15-4-5-18(14-22(15)27)12-19(30)8-6-17-7-9-20-21(13-17)24(32)29(23(20)31)26(3)11-10-16(2)28-25(26)33;1-15-3-5-18(13-22(15)26(27,28)29)12-20(32)8-6-17-7-9-21-19(11-17)14-31(25(21)34)23-10-4-16(2)30-24(23)33;1-15-3-9-22(24(30)27-15)28-14-18-11-16(5-8-21(18)25(28)31)4-7-20(29)13-17-12-19(26)6-10-23(17)32-2;1-15-3-9-22(26)18(11-15)13-20(29)7-5-17-6-8-21-19(12-17)14-28(25(21)31)23-10-4-16(2)27-24(23)30;1-15-3-7-20(26)12-18(15)13-21(29)8-5-17-6-9-22-19(11-17)14-28(25(22)31)23-10-4-16(2)27-24(23)30;1-15-4-3-5-22(26)21(15)13-19(29)9-7-17-8-10-20-18(12-17)14-28(25(20)31)23-11-6-16(2)27-24(23)30;1-15-6-11-22(23(29)26-15)27-24(30)20-10-8-16(14-21(20)25(27)31)7-9-18(28)12-17-4-3-5-19(13-17)32-2;1-14-2-9-22(23(30)27-14)28-13-17-10-15(4-7-20(17)24(28)31)3-6-19(29)12-16-11-18(25)5-8-21(16)26;1-15-7-12-21(22(28)25-15)26-23(29)19-11-9-17(14-20(19)24(26)30)8-10-18(27)13-16-5-3-2-4-6-16/h4-5,7,9,13-14H,2,6,8,10-12H2,1,3H3,(H,28,33);3,5,7,9,11,13,23H,2,4,6,8,10,12,14H2,1H3,(H,30,33);5-6,8,10-12,22H,1,3-4,7,9,13-14H2,2H3,(H,27,30);3,6,8-9,11-12,23H,2,4-5,7,10,13-14H2,1H3,(H,27,30);3,6-7,9,11-12,23H,2,4-5,8,10,13-14H2,1H3,(H,27,30);3-5,8,10,12,23H,2,6-7,9,11,13-14H2,1H3,(H,27,30);3-5,8,10,13-14,22H,1,6-7,9,11-12H2,2H3,(H,26,29);4-5,7-8,10-11,22H,1-3,6,9,12-13H2,(H,27,30);2-6,9,11,14,21H,1,7-8,10,12-13H2,(H,25,28)/t26-;;;;;;;;/m0......../s1
InChIKeyKRLMNGIBXOMHPH-XYXIYLDGSA-N
XLogP35.07
TPSA667.99 Ų
H-Bond Donors9
H-Bond Acceptors32
Rotatable Bonds56
Heavy Atoms285
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003991.48
LogP ≤ 535.07
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1032

Analyze 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 with MolForge

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Related Compounds

2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-(4-methylphenyl)-3-oxobutyl]-3H-isoindol-1-one
CID 157340560
2-(6-methylidene-2-oxopiperidin-3-yl)-5-(3-oxo-4-phenylbutyl)isoindole-1,3-dione
CID 157230699
3-[3-[4-(3-chloro-4-methylphenyl)-3-oxobutyl]phenoxy]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione
CID 165065193
5-[4-(2-hydroxy-4,5-dimethylphenyl)-3-oxobutyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one
CID 158701068
3-[3-[4-(3-chloro-4-methylphenyl)-3-oxobutyl]-N-methylanilino]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione
CID 165026091
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
3-[6-[4-[4-methyl-3-(morpholin-4-ylmethyl)phenyl]-3-oxobutyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 159828659
5-[4-(3-chloro-4-methylphenyl)-3-oxobutyl]-2-(2,4-dioxocyclohexyl)isoindole-1,3-dione
CID 147267948
8-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-6-oxooctanoic acid
CID 148674533
1-(6-methylidene-2-oxopiperidin-3-yl)-3-[3-[4-(4-methylphenyl)-3-oxobutyl]anilino]pyrrole-2,5-dione
CID 165021621
5-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;tris(5-[2-(5-chloro-6-methyl-1H-benzimidazol-2-yl)ethyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one);bis(5-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one)
CID 158132048

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=C1CCC(N2C(=O)c3ccc(CCC(=O)Cc4cccc(OC)c4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(CCC(=O)Cc4ccccc4)cc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)Cc4c(C)cccc4Cl)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)Cc4cc(C)ccc4Cl)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)Cc4cc(Cl)ccc4C)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)Cc4cc(Cl)ccc4Cl)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)Cc4cc(Cl)ccc4OC)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)Cc4ccc(C)c(C(F)(F)F)c4)ccc3C2=O)C(=O)N1.C=C1CC[C@](C)(N2C(=O)c3ccc(CCC(=O)Cc4ccc(C)c(Cl)c4)cc3C2=O)C(=O)N1.
What is the InChIKey of 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?
The InChIKey is KRLMNGIBXOMHPH-XYXIYLDGSA-N. The full InChI is InChI=1S/C26H25ClN2O4.C26H25F3N2O3.C25H25ClN2O4.3C25H25ClN2O3.C25H24N2O5.C24H22Cl2N2O3.C24H22N2O4/c1-15-4-5-18(14-22(15)27)12-19(30)8-6-17-7-9-20-21(13-17)24(32)29(23(20)31)26(3)11-10-16(2)28-25(26)33;1-15-3-5-18(13-22(15)26(27,28)29)12-20(32)8-6-17-7-9-21-19(11-17)14-31(25(21)34)23-10-4-16(2)30-24(23)33;1-15-3-9-22(24(30)27-15)28-14-18-11-16(5-8-21(18)25(28)31)4-7-20(29)13-17-12-19(26)6-10-23(17)32-2;1-15-3-9-22(26)18(11-15)13-20(29)7-5-17-6-8-21-19(12-17)14-28(25(21)31)23-10-4-16(2)27-24(23)30;1-15-3-7-20(26)12-18(15)13-21(29)8-5-17-6-9-22-19(11-17)14-28(25(22)31)23-10-4-16(2)27-24(23)30;1-15-4-3-5-22(26)21(15)13-19(29)9-7-17-8-10-20-18(12-17)14-28(25(20)31)23-11-6-16(2)27-24(23)30;1-15-6-11-22(23(29)26-15)27-24(30)20-10-8-16(14-21(20)25(27)31)7-9-18(28)12-17-4-3-5-19(13-17)32-2;1-14-2-9-22(23(30)27-14)28-13-17-10-15(4-7-20(17)24(28)31)3-6-19(29)12-16-11-18(25)5-8-21(16)26;1-15-7-12-21(22(28)25-15)26-23(29)19-11-9-17(14-20(19)24(26)30)8-10-18(27)13-16-5-3-2-4-6-16/h4-5,7,9,13-14H,2,6,8,10-12H2,1,3H3,(H,28,33);3,5,7,9,11,13,23H,2,4,6,8,10,12,14H2,1H3,(H,30,33);5-6,8,10-12,22H,1,3-4,7,9,13-14H2,2H3,(H,27,30);3,6,8-9,11-12,23H,2,4-5,7,10,13-14H2,1H3,(H,27,30);3,6-7,9,11-12,23H,2,4-5,8,10,13-14H2,1H3,(H,27,30);3-5,8,10,12,23H,2,6-7,9,11,13-14H2,1H3,(H,27,30);3-5,8,10,13-14,22H,1,6-7,9,11-12H2,2H3,(H,26,29);4-5,7-8,10-11,22H,1-3,6,9,12-13H2,(H,27,30);2-6,9,11,14,21H,1,7-8,10,12-13H2,(H,25,28)/t26-;;;;;;;;/m0......../s1.
What are the key properties of 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?
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 has a molecular weight of 3991.48 g/mol, XLogP of 35.07, 56 rotatable bonds, 9 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159219121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).