5-(tert-butylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[5-(tert-butylamino)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-(dimethylamino)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;bis(2-(2,6-dioxopiperidin-3-yl)-5-[(2-methylpropan-2-yl)oxy]isoindole-1,3-dione);bis(3-[6-[(2-methylpropan-2-yl)oxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione)

C117H133N17O28 — CID 157247290

About 5-(tert-butylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[5-(tert-butylamino)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-(dimethylamino)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;bis(2-(2,6-dioxopiperidin-3-yl)-5-[(2-methylpropan-2-yl)oxy]isoindole-1,3-dione);bis(3-[6-[(2-methylpropan-2-yl)oxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione)

5-(tert-butylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[5-(tert-butylamino)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-(dimethylamino)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;bis(2-(2,6-dioxopiperidin-3-yl)-5-[(2-methylpropan-2-yl)oxy]isoindole-1,3-dione);bis(3-[6-[(2-methylpropan-2-yl)oxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione) (PubChem CID 157247290) has the molecular formula C117H133N17O28 and a molecular weight of 2225.44 g/mol. Its IUPAC name is 5-(tert-butylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[5-(tert-butylamino)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-(dimethylamino)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;bis(2-(2,6-dioxopiperidin-3-yl)-5-[(2-methylpropan-2-yl)oxy]isoindole-1,3-dione);bis(3-[6-[(2-methylpropan-2-yl)oxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione).

Molecular Properties

• Compound Name: 5-(tert-butylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[5-(tert-butylamino)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-(dimethylamino)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;bis(2-(2,6-dioxopiperidin-3-yl)-5-[(2-methylpropan-2-yl)oxy]isoindole-1,3-dione);bis(3-[6-[(2-methylpropan-2-yl)oxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione)
• PubChem CID: 157247290
• Molecular Formula: C117H133N17O28
• Molecular Weight: 2225.44 g/mol
• Exact Mass: 2223.95
• IUPAC Name: 5-(tert-butylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[5-(tert-butylamino)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-(dimethylamino)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;bis(2-(2,6-dioxopiperidin-3-yl)-5-[(2-methylpropan-2-yl)oxy]isoindole-1,3-dione);bis(3-[6-[(2-methylpropan-2-yl)oxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione)
• SMILES: CC(C)(C)Nc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2.CC(C)(C)Nc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O.CC(C)(C)Oc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O.CC(C)(C)Oc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O.CC(C)(C)Oc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O.CC(C)(C)Oc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O.CN(C)c1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O
• InChI: InChI=1S/C17H19N3O4.C17H21N3O3.2C17H18N2O5.2C17H20N2O4.C15H17N3O3/c1-17(2,3)19-9-4-5-10-11(8-9)16(24)20(15(10)23)12-6-7-13(21)18-14(12)22;1-17(2,3)19-11-5-4-10-9-20(16(23)12(10)8-11)13-6-7-14(21)18-15(13)22;2*1-17(2,3)24-9-4-5-10-11(8-9)16(23)19(15(10)22)12-6-7-13(20)18-14(12)21;2*1-17(2,3)23-11-4-5-12-10(8-11)9-19(16(12)22)13-6-7-14(20)18-15(13)21;1-17(2)10-3-4-11-9(7-10)8-18(15(11)21)12-5-6-13(19)16-14(12)20/h4-5,8,12,19H,6-7H2,1-3H3,(H,18,21,22);4-5,8,13,19H,6-7,9H2,1-3H3,(H,18,21,22);2*4-5,8,12H,6-7H2,1-3H3,(H,18,20,21);2*4-5,8,13H,6-7,9H2,1-3H3,(H,18,20,21);3-4,7,12H,5-6,8H2,1-2H3,(H,16,19,20)
• InChIKey: AVXURPLAAPBPOB-UHFFFAOYSA-N
• XLogP: 9.25
• TPSA: 580.79 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 31
• Rotatable Bonds: 14
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2225.44
LogP ≤ 5	9.25
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[5-(tert-butylamino)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-(dimethylamino)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;bis(2-(2,6-dioxopiperidin-3-yl)-5-[(2-methylpropan-2-yl)oxy]isoindole-1,3-dione);bis(3-[6-[(2-methylpropan-2-yl)oxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione)?

The IUPAC name of 5-(tert-butylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[5-(tert-butylamino)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-(dimethylamino)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;bis(2-(2,6-dioxopiperidin-3-yl)-5-[(2-methylpropan-2-yl)oxy]isoindole-1,3-dione);bis(3-[6-[(2-methylpropan-2-yl)oxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione) (CID 157247290) is 5-(tert-butylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[5-(tert-butylamino)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-(dimethylamino)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;bis(2-(2,6-dioxopiperidin-3-yl)-5-[(2-methylpropan-2-yl)oxy]isoindole-1,3-dione);bis(3-[6-[(2-methylpropan-2-yl)oxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione).

What is the SMILES notation for 5-(tert-butylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[5-(tert-butylamino)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-(dimethylamino)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;bis(2-(2,6-dioxopiperidin-3-yl)-5-[(2-methylpropan-2-yl)oxy]isoindole-1,3-dione);bis(3-[6-[(2-methylpropan-2-yl)oxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione)?

The canonical SMILES for 5-(tert-butylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[5-(tert-butylamino)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-(dimethylamino)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;bis(2-(2,6-dioxopiperidin-3-yl)-5-[(2-methylpropan-2-yl)oxy]isoindole-1,3-dione);bis(3-[6-[(2-methylpropan-2-yl)oxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione) is CC(C)(C)Nc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2.CC(C)(C)Nc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O.CC(C)(C)Oc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O.CC(C)(C)Oc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O.CC(C)(C)Oc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O.CC(C)(C)Oc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O.CN(C)c1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O.

What is the InChIKey of 5-(tert-butylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[5-(tert-butylamino)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-(dimethylamino)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;bis(2-(2,6-dioxopiperidin-3-yl)-5-[(2-methylpropan-2-yl)oxy]isoindole-1,3-dione);bis(3-[6-[(2-methylpropan-2-yl)oxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione)?

The InChIKey is AVXURPLAAPBPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4.C17H21N3O3.2C17H18N2O5.2C17H20N2O4.C15H17N3O3/c1-17(2,3)19-9-4-5-10-11(8-9)16(24)20(15(10)23)12-6-7-13(21)18-14(12)22;1-17(2,3)19-11-5-4-10-9-20(16(23)12(10)8-11)13-6-7-14(21)18-15(13)22;2*1-17(2,3)24-9-4-5-10-11(8-9)16(23)19(15(10)22)12-6-7-13(20)18-14(12)21;2*1-17(2,3)23-11-4-5-12-10(8-11)9-19(16(12)22)13-6-7-14(20)18-15(13)21;1-17(2)10-3-4-11-9(7-10)8-18(15(11)21)12-5-6-13(19)16-14(12)20/h4-5,8,12,19H,6-7H2,1-3H3,(H,18,21,22);4-5,8,13,19H,6-7,9H2,1-3H3,(H,18,21,22);2*4-5,8,12H,6-7H2,1-3H3,(H,18,20,21);2*4-5,8,13H,6-7,9H2,1-3H3,(H,18,20,21);3-4,7,12H,5-6,8H2,1-2H3,(H,16,19,20).

What are the key properties of 5-(tert-butylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[5-(tert-butylamino)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-(dimethylamino)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;bis(2-(2,6-dioxopiperidin-3-yl)-5-[(2-methylpropan-2-yl)oxy]isoindole-1,3-dione);bis(3-[6-[(2-methylpropan-2-yl)oxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione)?

5-(tert-butylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[5-(tert-butylamino)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-(dimethylamino)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;bis(2-(2,6-dioxopiperidin-3-yl)-5-[(2-methylpropan-2-yl)oxy]isoindole-1,3-dione);bis(3-[6-[(2-methylpropan-2-yl)oxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione) has a molecular weight of 2225.44 g/mol, XLogP of 9.25, 14 rotatable bonds, 9 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(tert-butylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[5-(tert-butylamino)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-(dimethylamino)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;bis(2-(2,6-dioxopiperidin-3-yl)-5-[(2-methylpropan-2-yl)oxy]isoindole-1,3-dione);bis(3-[6-[(2-methylpropan-2-yl)oxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione) is sourced from PubChem (CID 157247290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).