3-[7-[[4-[[2-(4-fluorophenyl)-2-methylmorpholin-4-yl]methyl]phenyl]methoxy]-6-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C32H32FN3O5 — CID 67366467

About 3-[7-[[4-[[2-(4-fluorophenyl)-2-methylmorpholin-4-yl]methyl]phenyl]methoxy]-6-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[7-[[4-[[2-(4-fluorophenyl)-2-methylmorpholin-4-yl]methyl]phenyl]methoxy]-6-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 67366467) has the molecular formula C32H32FN3O5 and a molecular weight of 557.62 g/mol. Its IUPAC name is 3-[7-[[4-[[2-(4-fluorophenyl)-2-methylmorpholin-4-yl]methyl]phenyl]methoxy]-6-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[7-[[4-[[2-(4-fluorophenyl)-2-methylmorpholin-4-yl]methyl]phenyl]methoxy]-6-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• PubChem CID: 67366467
• Molecular Formula: C32H32FN3O5
• Molecular Weight: 557.62 g/mol
• Exact Mass: 557.23
• IUPAC Name: 3-[7-[[4-[[2-(4-fluorophenyl)-2-methylmorpholin-4-yl]methyl]phenyl]methoxy]-6-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• SMILES: CC1(c2ccc(F)cc2)CN(Cc2ccc(COC3=C4CN(C5CCC(=O)NC5=O)C=C4C=CC3=O)cc2)CCO1
• InChI: InChI=1S/C32H32FN3O5/c1-32(24-7-9-25(33)10-8-24)20-35(14-15-41-32)16-21-2-4-22(5-3-21)19-40-30-26-18-36(17-23(26)6-12-28(30)37)27-11-13-29(38)34-31(27)39/h2-10,12,17,27H,11,13-16,18-20H2,1H3,(H,34,38,39)
• InChIKey: FCGQSSUEKHCUFV-UHFFFAOYSA-N
• XLogP: 3.49
• TPSA: 88.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	557.62
LogP ≤ 5	3.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[7-[[4-[[2-(4-fluorophenyl)-2-methylmorpholin-4-yl]methyl]phenyl]methoxy]-6-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The IUPAC name of 3-[7-[[4-[[2-(4-fluorophenyl)-2-methylmorpholin-4-yl]methyl]phenyl]methoxy]-6-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 67366467) is 3-[7-[[4-[[2-(4-fluorophenyl)-2-methylmorpholin-4-yl]methyl]phenyl]methoxy]-6-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

What is the SMILES notation for 3-[7-[[4-[[2-(4-fluorophenyl)-2-methylmorpholin-4-yl]methyl]phenyl]methoxy]-6-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The canonical SMILES for 3-[7-[[4-[[2-(4-fluorophenyl)-2-methylmorpholin-4-yl]methyl]phenyl]methoxy]-6-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is CC1(c2ccc(F)cc2)CN(Cc2ccc(COC3=C4CN(C5CCC(=O)NC5=O)C=C4C=CC3=O)cc2)CCO1.

What is the InChIKey of 3-[7-[[4-[[2-(4-fluorophenyl)-2-methylmorpholin-4-yl]methyl]phenyl]methoxy]-6-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The InChIKey is FCGQSSUEKHCUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32FN3O5/c1-32(24-7-9-25(33)10-8-24)20-35(14-15-41-32)16-21-2-4-22(5-3-21)19-40-30-26-18-36(17-23(26)6-12-28(30)37)27-11-13-29(38)34-31(27)39/h2-10,12,17,27H,11,13-16,18-20H2,1H3,(H,34,38,39).

What are the key properties of 3-[7-[[4-[[2-(4-fluorophenyl)-2-methylmorpholin-4-yl]methyl]phenyl]methoxy]-6-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

3-[7-[[4-[[2-(4-fluorophenyl)-2-methylmorpholin-4-yl]methyl]phenyl]methoxy]-6-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 557.62 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[7-[[4-[[2-(4-fluorophenyl)-2-methylmorpholin-4-yl]methyl]phenyl]methoxy]-6-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 67366467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).