2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethylamino]isoindole-1,3-dione

C20H22N6O5 — CID 138911327

About 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethylamino]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethylamino]isoindole-1,3-dione (PubChem CID 138911327) has the molecular formula C20H22N6O5 and a molecular weight of 426.43 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethylamino]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethylamino]isoindole-1,3-dione
• PubChem CID: 138911327
• Molecular Formula: C20H22N6O5
• Molecular Weight: 426.43 g/mol
• Exact Mass: 426.17
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethylamino]isoindole-1,3-dione
• SMILES: Cc1cn(CCOCCNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)nn1
• InChI: InChI=1S/C20H22N6O5/c1-12-11-25(24-23-12)8-10-31-9-7-21-14-4-2-3-13-17(14)20(30)26(19(13)29)15-5-6-16(27)22-18(15)28/h2-4,11,15,21H,5-10H2,1H3,(H,22,27,28)
• InChIKey: LJDUVYPKANVIPV-UHFFFAOYSA-N
• XLogP: 0.12
• TPSA: 135.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.43
LogP ≤ 5	0.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethylamino]isoindole-1,3-dione?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethylamino]isoindole-1,3-dione (CID 138911327) is 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethylamino]isoindole-1,3-dione.

What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethylamino]isoindole-1,3-dione?

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethylamino]isoindole-1,3-dione is Cc1cn(CCOCCNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)nn1.

What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethylamino]isoindole-1,3-dione?

The InChIKey is LJDUVYPKANVIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O5/c1-12-11-25(24-23-12)8-10-31-9-7-21-14-4-2-3-13-17(14)20(30)26(19(13)29)15-5-6-16(27)22-18(15)28/h2-4,11,15,21H,5-10H2,1H3,(H,22,27,28).

What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethylamino]isoindole-1,3-dione?

2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethylamino]isoindole-1,3-dione has a molecular weight of 426.43 g/mol, XLogP of 0.12, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethylamino]isoindole-1,3-dione is sourced from PubChem (CID 138911327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).