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

C31H29FN4O5 — CID 67333690

IUPAC2-(2,6-dioxopiperidin-3-yl)-4-[[4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]phenyl]methoxy]isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3cccc(OCc4ccc(CN5CCN(c6ccc(F)cc6)CC5)cc4)c3C2=O)C(=O)N1
InChIInChI=1S/C31H29FN4O5/c32-22-8-10-23(11-9-22)35-16-14-34(15-17-35)18-20-4-6-21(7-5-20)19-41-26-3-1-2-24-28(26)31(40)36(30(24)39)25-12-13-27(37)33-29(25)38/h1-11,25H,12-19H2,(H,33,37,38)
InChIKeyLVHBPJYWOSHALG-UHFFFAOYSA-N
MW556.59 g/mol
LogP3.13
Rot. Bonds7

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

2-(2,6-dioxopiperidin-3-yl)-4-[[4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]phenyl]methoxy]isoindole-1,3-dione (PubChem CID 67333690) has the molecular formula C31H29FN4O5 and a molecular weight of 556.59 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-4-[[4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]phenyl]methoxy]isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-4-[[4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]phenyl]methoxy]isoindole-1,3-dione
PubChem CID67333690
Molecular FormulaC31H29FN4O5
Molecular Weight556.59 g/mol
Exact Mass556.21
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-4-[[4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]phenyl]methoxy]isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3cccc(OCc4ccc(CN5CCN(c6ccc(F)cc6)CC5)cc4)c3C2=O)C(=O)N1
InChIInChI=1S/C31H29FN4O5/c32-22-8-10-23(11-9-22)35-16-14-34(15-17-35)18-20-4-6-21(7-5-20)19-41-26-3-1-2-24-28(26)31(40)36(30(24)39)25-12-13-27(37)33-29(25)38/h1-11,25H,12-19H2,(H,33,37,38)
InChIKeyLVHBPJYWOSHALG-UHFFFAOYSA-N
XLogP3.13
TPSA99.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.59
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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)piperazin-1-yl]methyl]phenyl]methoxy]isoindole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-[[4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]phenyl]methoxy]isoindole-1,3-dione (CID 67333690) is 2-(2,6-dioxopiperidin-3-yl)-4-[[4-[[4-(4-fluorophenyl)piperazin-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)piperazin-1-yl]methyl]phenyl]methoxy]isoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-4-[[4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]phenyl]methoxy]isoindole-1,3-dione is O=C1CCC(N2C(=O)c3cccc(OCc4ccc(CN5CCN(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)piperazin-1-yl]methyl]phenyl]methoxy]isoindole-1,3-dione?
The InChIKey is LVHBPJYWOSHALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29FN4O5/c32-22-8-10-23(11-9-22)35-16-14-34(15-17-35)18-20-4-6-21(7-5-20)19-41-26-3-1-2-24-28(26)31(40)36(30(24)39)25-12-13-27(37)33-29(25)38/h1-11,25H,12-19H2,(H,33,37,38).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-4-[[4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]phenyl]methoxy]isoindole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-4-[[4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]phenyl]methoxy]isoindole-1,3-dione has a molecular weight of 556.59 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-4-[[4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]phenyl]methoxy]isoindole-1,3-dione is sourced from PubChem (CID 67333690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).