2-(2,6-dioxopiperidin-3-yl)-5-fluoro-4-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]isoindole-1,3-dione

C20H22FN3O5 — CID 167913713

About 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-4-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-5-fluoro-4-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]isoindole-1,3-dione (PubChem CID 167913713) has the molecular formula C20H22FN3O5 and a molecular weight of 403.41 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-4-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-4-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]isoindole-1,3-dione
• PubChem CID: 167913713
• Molecular Formula: C20H22FN3O5
• Molecular Weight: 403.41 g/mol
• Exact Mass: 403.15
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-4-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]isoindole-1,3-dione
• SMILES: CC(C)(C)OC1CN(c2c(F)ccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)C1
• InChI: InChI=1S/C20H22FN3O5/c1-20(2,3)29-10-8-23(9-10)16-12(21)5-4-11-15(16)19(28)24(18(11)27)13-6-7-14(25)22-17(13)26/h4-5,10,13H,6-9H2,1-3H3,(H,22,25,26)
• InChIKey: SIRWVESCLALRPJ-UHFFFAOYSA-N
• XLogP: 1.23
• TPSA: 96.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.41
LogP ≤ 5	1.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

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-fluoro-4-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]isoindole-1,3-dione?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-4-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]isoindole-1,3-dione (CID 167913713) is 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-4-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]isoindole-1,3-dione.

What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-4-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]isoindole-1,3-dione?

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-4-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]isoindole-1,3-dione is CC(C)(C)OC1CN(c2c(F)ccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)C1.

What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-4-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]isoindole-1,3-dione?

The InChIKey is SIRWVESCLALRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O5/c1-20(2,3)29-10-8-23(9-10)16-12(21)5-4-11-15(16)19(28)24(18(11)27)13-6-7-14(25)22-17(13)26/h4-5,10,13H,6-9H2,1-3H3,(H,22,25,26).

What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-4-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]isoindole-1,3-dione?

2-(2,6-dioxopiperidin-3-yl)-5-fluoro-4-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]isoindole-1,3-dione has a molecular weight of 403.41 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-4-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]isoindole-1,3-dione is sourced from PubChem (CID 167913713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).