4-(3-tert-butylphenoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[4-[2-(dimethylamino)ethoxy]phenoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[4-(2-methylbutan-2-yl)phenoxy]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(2-naphthalen-2-ylethoxy)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-naphthalen-2-yloxyisoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(3-phenylpropoxy)isoindole-1,3-dione;hydrochloride

C147H139ClN12O25 — CID 157185295

About 4-(3-tert-butylphenoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[4-[2-(dimethylamino)ethoxy]phenoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[4-(2-methylbutan-2-yl)phenoxy]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(2-naphthalen-2-ylethoxy)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-naphthalen-2-yloxyisoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(3-phenylpropoxy)isoindole-1,3-dione;hydrochloride

4-(3-tert-butylphenoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[4-[2-(dimethylamino)ethoxy]phenoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[4-(2-methylbutan-2-yl)phenoxy]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(2-naphthalen-2-ylethoxy)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-naphthalen-2-yloxyisoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(3-phenylpropoxy)isoindole-1,3-dione;hydrochloride (PubChem CID 157185295) has the molecular formula C147H139ClN12O25 and a molecular weight of 2509.24 g/mol. Its IUPAC name is 4-(3-tert-butylphenoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[4-[2-(dimethylamino)ethoxy]phenoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[4-(2-methylbutan-2-yl)phenoxy]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(2-naphthalen-2-ylethoxy)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-naphthalen-2-yloxyisoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(3-phenylpropoxy)isoindole-1,3-dione;hydrochloride.

Molecular Properties

• Compound Name: 4-(3-tert-butylphenoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[4-[2-(dimethylamino)ethoxy]phenoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[4-(2-methylbutan-2-yl)phenoxy]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(2-naphthalen-2-ylethoxy)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-naphthalen-2-yloxyisoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(3-phenylpropoxy)isoindole-1,3-dione;hydrochloride
• PubChem CID: 157185295
• Molecular Formula: C147H139ClN12O25
• Molecular Weight: 2509.24 g/mol
• Exact Mass: 2506.97
• IUPAC Name: 4-(3-tert-butylphenoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[4-[2-(dimethylamino)ethoxy]phenoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[4-(2-methylbutan-2-yl)phenoxy]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(2-naphthalen-2-ylethoxy)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-naphthalen-2-yloxyisoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(3-phenylpropoxy)isoindole-1,3-dione;hydrochloride
• SMILES: C=C1CCC(N2C(=O)c3cccc(OCCCc4ccccc4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(OCCc4ccc5ccccc5c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(Oc4ccc(C(C)(C)CC)cc4)c3C2=O)C(=O)C1.C=C1CCC(N2C(=O)c3cccc(Oc4ccc(OCCN(C)C)cc4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(Oc4ccc5ccccc5c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(Oc4cccc(C(C)(C)C)c4)c3C2=O)C(=O)N1.Cl
• InChI: InChI=1S/C26H22N2O4.C26H27NO4.C24H25N3O5.C24H18N2O4.C24H24N2O4.C23H22N2O4.ClH/c1-16-9-12-21(24(29)27-16)28-25(30)20-7-4-8-22(23(20)26(28)31)32-14-13-17-10-11-18-5-2-3-6-19(18)15-17;1-5-26(3,4)17-10-12-18(13-11-17)31-22-8-6-7-19-23(22)25(30)27(24(19)29)20-14-9-16(2)15-21(20)28;1-15-7-12-19(22(28)25-15)27-23(29)18-5-4-6-20(21(18)24(27)30)32-17-10-8-16(9-11-17)31-14-13-26(2)3;1-14-9-12-19(22(27)25-14)26-23(28)18-7-4-8-20(21(18)24(26)29)30-17-11-10-15-5-2-3-6-16(15)13-17;1-14-11-12-18(21(27)25-14)26-22(28)17-9-6-10-19(20(17)23(26)29)30-16-8-5-7-15(13-16)24(2,3)4;1-15-12-13-18(21(26)24-15)25-22(27)17-10-5-11-19(20(17)23(25)28)29-14-6-9-16-7-3-2-4-8-16;/h2-8,10-11,15,21H,1,9,12-14H2,(H,27,29);6-8,10-13,20H,2,5,9,14-15H2,1,3-4H3;4-6,8-11,19H,1,7,12-14H2,2-3H3,(H,25,28);2-8,10-11,13,19H,1,9,12H2,(H,25,27);5-10,13,18H,1,11-12H2,2-4H3,(H,25,27);2-5,7-8,10-11,18H,1,6,9,12-14H2,(H,24,26);1H
• InChIKey: XRVJBXQGHZOJAZ-UHFFFAOYSA-N
• XLogP: 23.79
• TPSA: 454.70 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 26
• Rotatable Bonds: 29
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2509.24
LogP ≤ 5	23.79
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(3-tert-butylphenoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[4-[2-(dimethylamino)ethoxy]phenoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[4-(2-methylbutan-2-yl)phenoxy]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(2-naphthalen-2-ylethoxy)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-naphthalen-2-yloxyisoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(3-phenylpropoxy)isoindole-1,3-dione;hydrochloride?

The IUPAC name of 4-(3-tert-butylphenoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[4-[2-(dimethylamino)ethoxy]phenoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[4-(2-methylbutan-2-yl)phenoxy]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(2-naphthalen-2-ylethoxy)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-naphthalen-2-yloxyisoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(3-phenylpropoxy)isoindole-1,3-dione;hydrochloride (CID 157185295) is 4-(3-tert-butylphenoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[4-[2-(dimethylamino)ethoxy]phenoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[4-(2-methylbutan-2-yl)phenoxy]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(2-naphthalen-2-ylethoxy)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-naphthalen-2-yloxyisoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(3-phenylpropoxy)isoindole-1,3-dione;hydrochloride.

What is the SMILES notation for 4-(3-tert-butylphenoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[4-[2-(dimethylamino)ethoxy]phenoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[4-(2-methylbutan-2-yl)phenoxy]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(2-naphthalen-2-ylethoxy)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-naphthalen-2-yloxyisoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(3-phenylpropoxy)isoindole-1,3-dione;hydrochloride?

The canonical SMILES for 4-(3-tert-butylphenoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[4-[2-(dimethylamino)ethoxy]phenoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[4-(2-methylbutan-2-yl)phenoxy]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(2-naphthalen-2-ylethoxy)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-naphthalen-2-yloxyisoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(3-phenylpropoxy)isoindole-1,3-dione;hydrochloride is C=C1CCC(N2C(=O)c3cccc(OCCCc4ccccc4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(OCCc4ccc5ccccc5c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(Oc4ccc(C(C)(C)CC)cc4)c3C2=O)C(=O)C1.C=C1CCC(N2C(=O)c3cccc(Oc4ccc(OCCN(C)C)cc4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(Oc4ccc5ccccc5c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(Oc4cccc(C(C)(C)C)c4)c3C2=O)C(=O)N1.Cl.

What is the InChIKey of 4-(3-tert-butylphenoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[4-[2-(dimethylamino)ethoxy]phenoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[4-(2-methylbutan-2-yl)phenoxy]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(2-naphthalen-2-ylethoxy)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-naphthalen-2-yloxyisoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(3-phenylpropoxy)isoindole-1,3-dione;hydrochloride?

The InChIKey is XRVJBXQGHZOJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O4.C26H27NO4.C24H25N3O5.C24H18N2O4.C24H24N2O4.C23H22N2O4.ClH/c1-16-9-12-21(24(29)27-16)28-25(30)20-7-4-8-22(23(20)26(28)31)32-14-13-17-10-11-18-5-2-3-6-19(18)15-17;1-5-26(3,4)17-10-12-18(13-11-17)31-22-8-6-7-19-23(22)25(30)27(24(19)29)20-14-9-16(2)15-21(20)28;1-15-7-12-19(22(28)25-15)27-23(29)18-5-4-6-20(21(18)24(27)30)32-17-10-8-16(9-11-17)31-14-13-26(2)3;1-14-9-12-19(22(27)25-14)26-23(28)18-7-4-8-20(21(18)24(26)29)30-17-11-10-15-5-2-3-6-16(15)13-17;1-14-11-12-18(21(27)25-14)26-22(28)17-9-6-10-19(20(17)23(26)29)30-16-8-5-7-15(13-16)24(2,3)4;1-15-12-13-18(21(26)24-15)25-22(27)17-10-5-11-19(20(17)23(25)28)29-14-6-9-16-7-3-2-4-8-16;/h2-8,10-11,15,21H,1,9,12-14H2,(H,27,29);6-8,10-13,20H,2,5,9,14-15H2,1,3-4H3;4-6,8-11,19H,1,7,12-14H2,2-3H3,(H,25,28);2-8,10-11,13,19H,1,9,12H2,(H,25,27);5-10,13,18H,1,11-12H2,2-4H3,(H,25,27);2-5,7-8,10-11,18H,1,6,9,12-14H2,(H,24,26);1H.

What are the key properties of 4-(3-tert-butylphenoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[4-[2-(dimethylamino)ethoxy]phenoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[4-(2-methylbutan-2-yl)phenoxy]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(2-naphthalen-2-ylethoxy)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-naphthalen-2-yloxyisoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(3-phenylpropoxy)isoindole-1,3-dione;hydrochloride?

4-(3-tert-butylphenoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[4-[2-(dimethylamino)ethoxy]phenoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[4-(2-methylbutan-2-yl)phenoxy]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(2-naphthalen-2-ylethoxy)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-naphthalen-2-yloxyisoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(3-phenylpropoxy)isoindole-1,3-dione;hydrochloride has a molecular weight of 2509.24 g/mol, XLogP of 23.79, 29 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3-tert-butylphenoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[4-[2-(dimethylamino)ethoxy]phenoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[4-(2-methylbutan-2-yl)phenoxy]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(2-naphthalen-2-ylethoxy)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-naphthalen-2-yloxyisoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(3-phenylpropoxy)isoindole-1,3-dione;hydrochloride is sourced from PubChem (CID 157185295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).