2-(2,6-dioxopiperidin-3-yl)-4-[[4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]phenyl]methoxy]isoindole-1,3-dione

C32H30FN3O5 — CID 67334770

IUPAC2-(2,6-dioxopiperidin-3-yl)-4-[[4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]phenyl]methoxy]isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3cccc(OCc4ccc(CN5CCC(c6ccc(F)cc6)CC5)cc4)c3C2=O)C(=O)N1
InChIInChI=1S/C32H30FN3O5/c33-24-10-8-22(9-11-24)23-14-16-35(17-15-23)18-20-4-6-21(7-5-20)19-41-27-3-1-2-25-29(27)32(40)36(31(25)39)26-12-13-28(37)34-30(26)38/h1-11,23,26H,12-19H2,(H,34,37,38)
InChIKeySARQGSQLFKOTNM-UHFFFAOYSA-N
MW555.61 g/mol
LogP4.19
Rot. Bonds7

About 2-(2,6-dioxopiperidin-3-yl)-4-[[4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]phenyl]methoxy]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-4-[[4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]phenyl]methoxy]isoindole-1,3-dione (PubChem CID 67334770) has the molecular formula C32H30FN3O5 and a molecular weight of 555.61 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-4-[[4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]phenyl]methoxy]isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-4-[[4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]phenyl]methoxy]isoindole-1,3-dione
PubChem CID67334770
Molecular FormulaC32H30FN3O5
Molecular Weight555.61 g/mol
Exact Mass555.22
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-4-[[4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]phenyl]methoxy]isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3cccc(OCc4ccc(CN5CCC(c6ccc(F)cc6)CC5)cc4)c3C2=O)C(=O)N1
InChIInChI=1S/C32H30FN3O5/c33-24-10-8-22(9-11-24)23-14-16-35(17-15-23)18-20-4-6-21(7-5-20)19-41-27-3-1-2-25-29(27)32(40)36(31(25)39)26-12-13-28(37)34-30(26)38/h1-11,23,26H,12-19H2,(H,34,37,38)
InChIKeySARQGSQLFKOTNM-UHFFFAOYSA-N
XLogP4.19
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.61
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-[[4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]phenyl]methoxy]isoindole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-[[4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]phenyl]methoxy]isoindole-1,3-dione (CID 67334770) is 2-(2,6-dioxopiperidin-3-yl)-4-[[4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]phenyl]methoxy]isoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-4-[[4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]phenyl]methoxy]isoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-4-[[4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]phenyl]methoxy]isoindole-1,3-dione is O=C1CCC(N2C(=O)c3cccc(OCc4ccc(CN5CCC(c6ccc(F)cc6)CC5)cc4)c3C2=O)C(=O)N1.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-4-[[4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]phenyl]methoxy]isoindole-1,3-dione?
The InChIKey is SARQGSQLFKOTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30FN3O5/c33-24-10-8-22(9-11-24)23-14-16-35(17-15-23)18-20-4-6-21(7-5-20)19-41-27-3-1-2-25-29(27)32(40)36(31(25)39)26-12-13-28(37)34-30(26)38/h1-11,23,26H,12-19H2,(H,34,37,38).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-4-[[4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]phenyl]methoxy]isoindole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-4-[[4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]phenyl]methoxy]isoindole-1,3-dione has a molecular weight of 555.61 g/mol, XLogP of 4.19, 7 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)-4-[[4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]phenyl]methoxy]isoindole-1,3-dione is sourced from PubChem (CID 67334770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).