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

C22H26N6O6 — CID 170777475

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

2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethoxy]ethylamino]isoindole-1,3-dione (PubChem CID 170777475) has the molecular formula C22H26N6O6 and a molecular weight of 470.49 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethoxy]ethylamino]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethoxy]ethylamino]isoindole-1,3-dione
• PubChem CID: 170777475
• Molecular Formula: C22H26N6O6
• Molecular Weight: 470.49 g/mol
• Exact Mass: 470.19
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethoxy]ethylamino]isoindole-1,3-dione
• SMILES: Cc1cn(CCOCCOCCNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)nn1
• InChI: InChI=1S/C22H26N6O6/c1-14-13-27(26-25-14)8-10-34-12-11-33-9-7-23-16-4-2-3-15-19(16)22(32)28(21(15)31)17-5-6-18(29)24-20(17)30/h2-4,13,17,23H,5-12H2,1H3,(H,24,29,30)
• InChIKey: GWITUNYSLSHKJI-UHFFFAOYSA-N
• XLogP: 0.13
• TPSA: 144.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.49
LogP ≤ 5	0.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

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

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethoxy]ethylamino]isoindole-1,3-dione (CID 170777475) is 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethoxy]ethylamino]isoindole-1,3-dione.

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

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethoxy]ethylamino]isoindole-1,3-dione is Cc1cn(CCOCCOCCNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)nn1.

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

The InChIKey is GWITUNYSLSHKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O6/c1-14-13-27(26-25-14)8-10-34-12-11-33-9-7-23-16-4-2-3-15-19(16)22(32)28(21(15)31)17-5-6-18(29)24-20(17)30/h2-4,13,17,23H,5-12H2,1H3,(H,24,29,30).

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

2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethoxy]ethylamino]isoindole-1,3-dione has a molecular weight of 470.49 g/mol, XLogP of 0.13, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethoxy]ethylamino]isoindole-1,3-dione is sourced from PubChem (CID 170777475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).