5-[3-(2-azidoethoxy)propyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C18H19N5O5 — CID 150115701

About 5-[3-(2-azidoethoxy)propyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

5-[3-(2-azidoethoxy)propyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 150115701) has the molecular formula C18H19N5O5 and a molecular weight of 385.38 g/mol. Its IUPAC name is 5-[3-(2-azidoethoxy)propyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

• Compound Name: 5-[3-(2-azidoethoxy)propyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• PubChem CID: 150115701
• Molecular Formula: C18H19N5O5
• Molecular Weight: 385.38 g/mol
• Exact Mass: 385.14
• IUPAC Name: 5-[3-(2-azidoethoxy)propyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• SMILES: [N-]=[N+]=NCCOCCCc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O
• InChI: InChI=1S/C18H19N5O5/c19-22-20-7-9-28-8-1-2-11-3-4-12-13(10-11)18(27)23(17(12)26)14-5-6-15(24)21-16(14)25/h3-4,10,14H,1-2,5-9H2,(H,21,24,25)
• InChIKey: DYEUJBBPCFLPIS-UHFFFAOYSA-N
• XLogP: 1.35
• TPSA: 141.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.38
LogP ≤ 5	1.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-azidoethoxy)propyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The IUPAC name of 5-[3-(2-azidoethoxy)propyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 150115701) is 5-[3-(2-azidoethoxy)propyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

What is the SMILES notation for 5-[3-(2-azidoethoxy)propyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The canonical SMILES for 5-[3-(2-azidoethoxy)propyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is [N-]=[N+]=NCCOCCCc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O.

What is the InChIKey of 5-[3-(2-azidoethoxy)propyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The InChIKey is DYEUJBBPCFLPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O5/c19-22-20-7-9-28-8-1-2-11-3-4-12-13(10-11)18(27)23(17(12)26)14-5-6-15(24)21-16(14)25/h3-4,10,14H,1-2,5-9H2,(H,21,24,25).

What are the key properties of 5-[3-(2-azidoethoxy)propyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

5-[3-(2-azidoethoxy)propyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 385.38 g/mol, XLogP of 1.35, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-(2-azidoethoxy)propyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 150115701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).