2-[2-oxo-2-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]ethyl]isoindole-1,3-dione

C20H17F3N4O4 — CID 122267536

About 2-[2-oxo-2-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]ethyl]isoindole-1,3-dione

2-[2-oxo-2-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]ethyl]isoindole-1,3-dione (PubChem CID 122267536) has the molecular formula C20H17F3N4O4 and a molecular weight of 434.37 g/mol. Its IUPAC name is 2-[2-oxo-2-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]ethyl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-[2-oxo-2-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]ethyl]isoindole-1,3-dione
• PubChem CID: 122267536
• Molecular Formula: C20H17F3N4O4
• Molecular Weight: 434.37 g/mol
• Exact Mass: 434.12
• IUPAC Name: 2-[2-oxo-2-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]ethyl]isoindole-1,3-dione
• SMILES: O=C(CN1C(=O)c2ccccc2C1=O)N1CCCC(Oc2nccc(C(F)(F)F)n2)C1
• InChI: InChI=1S/C20H17F3N4O4/c21-20(22,23)15-7-8-24-19(25-15)31-12-4-3-9-26(10-12)16(28)11-27-17(29)13-5-1-2-6-14(13)18(27)30/h1-2,5-8,12H,3-4,9-11H2
• InChIKey: SUPUVVXJWAESNG-UHFFFAOYSA-N
• XLogP: 2.16
• TPSA: 92.70 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.37
LogP ≤ 5	2.16
H-Bond Donors ≤ 5	0
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-oxo-2-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]ethyl]isoindole-1,3-dione?

The IUPAC name of 2-[2-oxo-2-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]ethyl]isoindole-1,3-dione (CID 122267536) is 2-[2-oxo-2-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]ethyl]isoindole-1,3-dione.

What is the SMILES notation for 2-[2-oxo-2-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]ethyl]isoindole-1,3-dione?

The canonical SMILES for 2-[2-oxo-2-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]ethyl]isoindole-1,3-dione is O=C(CN1C(=O)c2ccccc2C1=O)N1CCCC(Oc2nccc(C(F)(F)F)n2)C1.

What is the InChIKey of 2-[2-oxo-2-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]ethyl]isoindole-1,3-dione?

The InChIKey is SUPUVVXJWAESNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O4/c21-20(22,23)15-7-8-24-19(25-15)31-12-4-3-9-26(10-12)16(28)11-27-17(29)13-5-1-2-6-14(13)18(27)30/h1-2,5-8,12H,3-4,9-11H2.

What are the key properties of 2-[2-oxo-2-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]ethyl]isoindole-1,3-dione?

2-[2-oxo-2-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]ethyl]isoindole-1,3-dione has a molecular weight of 434.37 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-oxo-2-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 122267536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).