2-(2,6-dioxopiperidin-3-yl)-5-[4-hydroxy-1-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]isoindole-1,3-dione

C27H26F3N3O5 — CID 166105732

About 2-(2,6-dioxopiperidin-3-yl)-5-[4-hydroxy-1-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-5-[4-hydroxy-1-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]isoindole-1,3-dione (PubChem CID 166105732) has the molecular formula C27H26F3N3O5 and a molecular weight of 529.52 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[4-hydroxy-1-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-5-[4-hydroxy-1-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]isoindole-1,3-dione
• PubChem CID: 166105732
• Molecular Formula: C27H26F3N3O5
• Molecular Weight: 529.52 g/mol
• Exact Mass: 529.18
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-5-[4-hydroxy-1-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]isoindole-1,3-dione
• SMILES: CC(c1ccc(C(F)(F)F)cc1)N1CCC(O)(c2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1
• InChI: InChI=1S/C27H26F3N3O5/c1-15(16-2-4-17(5-3-16)27(28,29)30)32-12-10-26(38,11-13-32)18-6-7-19-20(14-18)25(37)33(24(19)36)21-8-9-22(34)31-23(21)35/h2-7,14-15,21,38H,8-13H2,1H3,(H,31,34,35)
• InChIKey: QPCOUVRTKAAFST-UHFFFAOYSA-N
• XLogP: 3.15
• TPSA: 107.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	529.52
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	2
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-[4-hydroxy-1-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]isoindole-1,3-dione?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[4-hydroxy-1-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]isoindole-1,3-dione (CID 166105732) is 2-(2,6-dioxopiperidin-3-yl)-5-[4-hydroxy-1-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]isoindole-1,3-dione.

What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-[4-hydroxy-1-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]isoindole-1,3-dione?

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[4-hydroxy-1-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]isoindole-1,3-dione is CC(c1ccc(C(F)(F)F)cc1)N1CCC(O)(c2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1.

What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-[4-hydroxy-1-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]isoindole-1,3-dione?

The InChIKey is QPCOUVRTKAAFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F3N3O5/c1-15(16-2-4-17(5-3-16)27(28,29)30)32-12-10-26(38,11-13-32)18-6-7-19-20(14-18)25(37)33(24(19)36)21-8-9-22(34)31-23(21)35/h2-7,14-15,21,38H,8-13H2,1H3,(H,31,34,35).

What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-[4-hydroxy-1-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]isoindole-1,3-dione?

2-(2,6-dioxopiperidin-3-yl)-5-[4-hydroxy-1-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]isoindole-1,3-dione has a molecular weight of 529.52 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dioxopiperidin-3-yl)-5-[4-hydroxy-1-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]isoindole-1,3-dione is sourced from PubChem (CID 166105732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).