4-tert-butyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-(7-tert-butyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;4-(3,3-dimethylbut-1-ynyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[7-(3,3-dimethylbut-1-ynyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;2-(2,6-dioxopiperidin-3-yl)-4-[(2-methylpropan-2-yl)oxy]isoindole-1,3-dione

C89H94N10O19 — CID 167675931

About 4-tert-butyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-(7-tert-butyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;4-(3,3-dimethylbut-1-ynyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[7-(3,3-dimethylbut-1-ynyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;2-(2,6-dioxopiperidin-3-yl)-4-[(2-methylpropan-2-yl)oxy]isoindole-1,3-dione

4-tert-butyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-(7-tert-butyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;4-(3,3-dimethylbut-1-ynyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[7-(3,3-dimethylbut-1-ynyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;2-(2,6-dioxopiperidin-3-yl)-4-[(2-methylpropan-2-yl)oxy]isoindole-1,3-dione (PubChem CID 167675931) has the molecular formula C89H94N10O19 and a molecular weight of 1607.78 g/mol. Its IUPAC name is 4-tert-butyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-(7-tert-butyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;4-(3,3-dimethylbut-1-ynyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[7-(3,3-dimethylbut-1-ynyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;2-(2,6-dioxopiperidin-3-yl)-4-[(2-methylpropan-2-yl)oxy]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 4-tert-butyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-(7-tert-butyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;4-(3,3-dimethylbut-1-ynyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[7-(3,3-dimethylbut-1-ynyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;2-(2,6-dioxopiperidin-3-yl)-4-[(2-methylpropan-2-yl)oxy]isoindole-1,3-dione
• PubChem CID: 167675931
• Molecular Formula: C89H94N10O19
• Molecular Weight: 1607.78 g/mol
• Exact Mass: 1606.67
• IUPAC Name: 4-tert-butyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-(7-tert-butyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;4-(3,3-dimethylbut-1-ynyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[7-(3,3-dimethylbut-1-ynyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;2-(2,6-dioxopiperidin-3-yl)-4-[(2-methylpropan-2-yl)oxy]isoindole-1,3-dione
• SMILES: CC(C)(C)C#Cc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.CC(C)(C)C#Cc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O.CC(C)(C)Oc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.CC(C)(C)c1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.CC(C)(C)c1cccc2c1CN(C1CCC(=O)NC1=O)C2=O
• InChI: InChI=1S/C19H18N2O4.C19H20N2O3.C17H18N2O5.C17H18N2O4.C17H20N2O3/c1-19(2,3)10-9-11-5-4-6-12-15(11)18(25)21(17(12)24)13-7-8-14(22)20-16(13)23;1-19(2,3)10-9-12-5-4-6-13-14(12)11-21(18(13)24)15-7-8-16(22)20-17(15)23;1-17(2,3)24-11-6-4-5-9-13(11)16(23)19(15(9)22)10-7-8-12(20)18-14(10)21;1-17(2,3)10-6-4-5-9-13(10)16(23)19(15(9)22)11-7-8-12(20)18-14(11)21;1-17(2,3)12-6-4-5-10-11(12)9-19(16(10)22)13-7-8-14(20)18-15(13)21/h4-6,13H,7-8H2,1-3H3,(H,20,22,23);4-6,15H,7-8,11H2,1-3H3,(H,20,22,23);4-6,10H,7-8H2,1-3H3,(H,18,20,21);4-6,11H,7-8H2,1-3H3,(H,18,20,21);4-6,13H,7-9H2,1-3H3,(H,18,20,21)
• InChIKey: UUUKOKFVRLJKRL-UHFFFAOYSA-N
• XLogP: 7.73
• TPSA: 392.84 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 19
• Rotatable Bonds: 6
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1607.78
LogP ≤ 5	7.73
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-(7-tert-butyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;4-(3,3-dimethylbut-1-ynyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[7-(3,3-dimethylbut-1-ynyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;2-(2,6-dioxopiperidin-3-yl)-4-[(2-methylpropan-2-yl)oxy]isoindole-1,3-dione?

The IUPAC name of 4-tert-butyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-(7-tert-butyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;4-(3,3-dimethylbut-1-ynyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[7-(3,3-dimethylbut-1-ynyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;2-(2,6-dioxopiperidin-3-yl)-4-[(2-methylpropan-2-yl)oxy]isoindole-1,3-dione (CID 167675931) is 4-tert-butyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-(7-tert-butyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;4-(3,3-dimethylbut-1-ynyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[7-(3,3-dimethylbut-1-ynyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;2-(2,6-dioxopiperidin-3-yl)-4-[(2-methylpropan-2-yl)oxy]isoindole-1,3-dione.

What is the SMILES notation for 4-tert-butyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-(7-tert-butyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;4-(3,3-dimethylbut-1-ynyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[7-(3,3-dimethylbut-1-ynyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;2-(2,6-dioxopiperidin-3-yl)-4-[(2-methylpropan-2-yl)oxy]isoindole-1,3-dione?

The canonical SMILES for 4-tert-butyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-(7-tert-butyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;4-(3,3-dimethylbut-1-ynyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[7-(3,3-dimethylbut-1-ynyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;2-(2,6-dioxopiperidin-3-yl)-4-[(2-methylpropan-2-yl)oxy]isoindole-1,3-dione is CC(C)(C)C#Cc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.CC(C)(C)C#Cc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O.CC(C)(C)Oc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.CC(C)(C)c1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.CC(C)(C)c1cccc2c1CN(C1CCC(=O)NC1=O)C2=O.

What is the InChIKey of 4-tert-butyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-(7-tert-butyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;4-(3,3-dimethylbut-1-ynyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[7-(3,3-dimethylbut-1-ynyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;2-(2,6-dioxopiperidin-3-yl)-4-[(2-methylpropan-2-yl)oxy]isoindole-1,3-dione?

The InChIKey is UUUKOKFVRLJKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4.C19H20N2O3.C17H18N2O5.C17H18N2O4.C17H20N2O3/c1-19(2,3)10-9-11-5-4-6-12-15(11)18(25)21(17(12)24)13-7-8-14(22)20-16(13)23;1-19(2,3)10-9-12-5-4-6-13-14(12)11-21(18(13)24)15-7-8-16(22)20-17(15)23;1-17(2,3)24-11-6-4-5-9-13(11)16(23)19(15(9)22)10-7-8-12(20)18-14(10)21;1-17(2,3)10-6-4-5-9-13(10)16(23)19(15(9)22)11-7-8-12(20)18-14(11)21;1-17(2,3)12-6-4-5-10-11(12)9-19(16(10)22)13-7-8-14(20)18-15(13)21/h4-6,13H,7-8H2,1-3H3,(H,20,22,23);4-6,15H,7-8,11H2,1-3H3,(H,20,22,23);4-6,10H,7-8H2,1-3H3,(H,18,20,21);4-6,11H,7-8H2,1-3H3,(H,18,20,21);4-6,13H,7-9H2,1-3H3,(H,18,20,21).

What are the key properties of 4-tert-butyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-(7-tert-butyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;4-(3,3-dimethylbut-1-ynyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[7-(3,3-dimethylbut-1-ynyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;2-(2,6-dioxopiperidin-3-yl)-4-[(2-methylpropan-2-yl)oxy]isoindole-1,3-dione?

4-tert-butyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-(7-tert-butyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;4-(3,3-dimethylbut-1-ynyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[7-(3,3-dimethylbut-1-ynyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;2-(2,6-dioxopiperidin-3-yl)-4-[(2-methylpropan-2-yl)oxy]isoindole-1,3-dione has a molecular weight of 1607.78 g/mol, XLogP of 7.73, 6 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-(7-tert-butyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;4-(3,3-dimethylbut-1-ynyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[7-(3,3-dimethylbut-1-ynyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;2-(2,6-dioxopiperidin-3-yl)-4-[(2-methylpropan-2-yl)oxy]isoindole-1,3-dione is sourced from PubChem (CID 167675931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).