3-[3-oxo-6-[2-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]cyclopentyl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione

C23H26F3N3O5 — CID 146296769

About 3-[3-oxo-6-[2-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]cyclopentyl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione

3-[3-oxo-6-[2-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]cyclopentyl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 146296769) has the molecular formula C23H26F3N3O5 and a molecular weight of 481.47 g/mol. Its IUPAC name is 3-[3-oxo-6-[2-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]cyclopentyl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[3-oxo-6-[2-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]cyclopentyl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione
• PubChem CID: 146296769
• Molecular Formula: C23H26F3N3O5
• Molecular Weight: 481.47 g/mol
• Exact Mass: 481.18
• IUPAC Name: 3-[3-oxo-6-[2-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]cyclopentyl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione
• SMILES: O=C1CCC(N2Cc3cc(OC4CCCC4N4CC(OCC(F)(F)F)C4)ccc3C2=O)C(=O)N1
• InChI: InChI=1S/C23H26F3N3O5/c24-23(25,26)12-33-15-10-28(11-15)17-2-1-3-19(17)34-14-4-5-16-13(8-14)9-29(22(16)32)18-6-7-20(30)27-21(18)31/h4-5,8,15,17-19H,1-3,6-7,9-12H2,(H,27,30,31)
• InChIKey: ARYONFGPBRIDPB-UHFFFAOYSA-N
• XLogP: 2.01
• TPSA: 88.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.47
LogP ≤ 5	2.01
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 3-[3-oxo-6-[2-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]cyclopentyl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione?

The IUPAC name of 3-[3-oxo-6-[2-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]cyclopentyl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione (CID 146296769) is 3-[3-oxo-6-[2-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]cyclopentyl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione.

What is the SMILES notation for 3-[3-oxo-6-[2-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]cyclopentyl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione?

The canonical SMILES for 3-[3-oxo-6-[2-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]cyclopentyl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3cc(OC4CCCC4N4CC(OCC(F)(F)F)C4)ccc3C2=O)C(=O)N1.

What is the InChIKey of 3-[3-oxo-6-[2-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]cyclopentyl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione?

The InChIKey is ARYONFGPBRIDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N3O5/c24-23(25,26)12-33-15-10-28(11-15)17-2-1-3-19(17)34-14-4-5-16-13(8-14)9-29(22(16)32)18-6-7-20(30)27-21(18)31/h4-5,8,15,17-19H,1-3,6-7,9-12H2,(H,27,30,31).

What are the key properties of 3-[3-oxo-6-[2-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]cyclopentyl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione?

3-[3-oxo-6-[2-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]cyclopentyl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 481.47 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-oxo-6-[2-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]cyclopentyl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 146296769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).