2-(2,6-dioxopiperidin-3-yl)-5-[2-oxo-2-[4-[4-(2-piperidin-1-ylethyl)triazol-1-yl]piperidin-1-yl]ethoxy]isoindole-1,3-dione

C29H35N7O6 — CID 175715710

About 2-(2,6-dioxopiperidin-3-yl)-5-[2-oxo-2-[4-[4-(2-piperidin-1-ylethyl)triazol-1-yl]piperidin-1-yl]ethoxy]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-5-[2-oxo-2-[4-[4-(2-piperidin-1-ylethyl)triazol-1-yl]piperidin-1-yl]ethoxy]isoindole-1,3-dione (PubChem CID 175715710) has the molecular formula C29H35N7O6 and a molecular weight of 577.64 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[2-oxo-2-[4-[4-(2-piperidin-1-ylethyl)triazol-1-yl]piperidin-1-yl]ethoxy]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-5-[2-oxo-2-[4-[4-(2-piperidin-1-ylethyl)triazol-1-yl]piperidin-1-yl]ethoxy]isoindole-1,3-dione
• PubChem CID: 175715710
• Molecular Formula: C29H35N7O6
• Molecular Weight: 577.64 g/mol
• Exact Mass: 577.26
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-5-[2-oxo-2-[4-[4-(2-piperidin-1-ylethyl)triazol-1-yl]piperidin-1-yl]ethoxy]isoindole-1,3-dione
• SMILES: O=C1CCC(N2C(=O)c3ccc(OCC(=O)N4CCC(n5cc(CCN6CCCCC6)nn5)CC4)cc3C2=O)C(=O)N1
• InChI: InChI=1S/C29H35N7O6/c37-25-7-6-24(27(39)30-25)36-28(40)22-5-4-21(16-23(22)29(36)41)42-18-26(38)34-14-9-20(10-15-34)35-17-19(31-32-35)8-13-33-11-2-1-3-12-33/h4-5,16-17,20,24H,1-3,6-15,18H2,(H,30,37,39)
• InChIKey: FURABDJGAITYJJ-UHFFFAOYSA-N
• XLogP: 0.95
• TPSA: 147.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	577.64
LogP ≤ 5	0.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[2-oxo-2-[4-[4-(2-piperidin-1-ylethyl)triazol-1-yl]piperidin-1-yl]ethoxy]isoindole-1,3-dione?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[2-oxo-2-[4-[4-(2-piperidin-1-ylethyl)triazol-1-yl]piperidin-1-yl]ethoxy]isoindole-1,3-dione (CID 175715710) is 2-(2,6-dioxopiperidin-3-yl)-5-[2-oxo-2-[4-[4-(2-piperidin-1-ylethyl)triazol-1-yl]piperidin-1-yl]ethoxy]isoindole-1,3-dione.

What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-[2-oxo-2-[4-[4-(2-piperidin-1-ylethyl)triazol-1-yl]piperidin-1-yl]ethoxy]isoindole-1,3-dione?

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[2-oxo-2-[4-[4-(2-piperidin-1-ylethyl)triazol-1-yl]piperidin-1-yl]ethoxy]isoindole-1,3-dione is O=C1CCC(N2C(=O)c3ccc(OCC(=O)N4CCC(n5cc(CCN6CCCCC6)nn5)CC4)cc3C2=O)C(=O)N1.

What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-[2-oxo-2-[4-[4-(2-piperidin-1-ylethyl)triazol-1-yl]piperidin-1-yl]ethoxy]isoindole-1,3-dione?

The InChIKey is FURABDJGAITYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N7O6/c37-25-7-6-24(27(39)30-25)36-28(40)22-5-4-21(16-23(22)29(36)41)42-18-26(38)34-14-9-20(10-15-34)35-17-19(31-32-35)8-13-33-11-2-1-3-12-33/h4-5,16-17,20,24H,1-3,6-15,18H2,(H,30,37,39).

What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-[2-oxo-2-[4-[4-(2-piperidin-1-ylethyl)triazol-1-yl]piperidin-1-yl]ethoxy]isoindole-1,3-dione?

2-(2,6-dioxopiperidin-3-yl)-5-[2-oxo-2-[4-[4-(2-piperidin-1-ylethyl)triazol-1-yl]piperidin-1-yl]ethoxy]isoindole-1,3-dione has a molecular weight of 577.64 g/mol, XLogP of 0.95, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dioxopiperidin-3-yl)-5-[2-oxo-2-[4-[4-(2-piperidin-1-ylethyl)triazol-1-yl]piperidin-1-yl]ethoxy]isoindole-1,3-dione is sourced from PubChem (CID 175715710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).