2-(2,6-dioxopiperidin-3-yl)-5-(2-phenylmethoxyethyl)isoindole-1,3-dione

C22H20N2O5 — CID 146411095

IUPAC2-(2,6-dioxopiperidin-3-yl)-5-(2-phenylmethoxyethyl)isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3ccc(CCOCc4ccccc4)cc3C2=O)C(=O)N1
InChIInChI=1S/C22H20N2O5/c25-19-9-8-18(20(26)23-19)24-21(27)16-7-6-14(12-17(16)22(24)28)10-11-29-13-15-4-2-1-3-5-15/h1-7,12,18H,8-11,13H2,(H,23,25,26)
InChIKeyXLHIAMUBWSRHDL-UHFFFAOYSA-N
MW392.41 g/mol
LogP1.85
Rot. Bonds6

About 2-(2,6-dioxopiperidin-3-yl)-5-(2-phenylmethoxyethyl)isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-5-(2-phenylmethoxyethyl)isoindole-1,3-dione (PubChem CID 146411095) has the molecular formula C22H20N2O5 and a molecular weight of 392.41 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-(2-phenylmethoxyethyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-5-(2-phenylmethoxyethyl)isoindole-1,3-dione
PubChem CID146411095
Molecular FormulaC22H20N2O5
Molecular Weight392.41 g/mol
Exact Mass392.14
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-5-(2-phenylmethoxyethyl)isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3ccc(CCOCc4ccccc4)cc3C2=O)C(=O)N1
InChIInChI=1S/C22H20N2O5/c25-19-9-8-18(20(26)23-19)24-21(27)16-7-6-14(12-17(16)22(24)28)10-11-29-13-15-4-2-1-3-5-15/h1-7,12,18H,8-11,13H2,(H,23,25,26)
InChIKeyXLHIAMUBWSRHDL-UHFFFAOYSA-N
XLogP1.85
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[3-oxo-6-(2-phenylmethoxyethyl)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166855298
2-(2,6-dioxopiperidin-3-yl)-5-[5-(2-phenylmethoxyethoxy)pentoxy]isoindole-1,3-dione
CID 134492748
3-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propoxy]propanoic acid
CID 146485046
5-butyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 157474778
5-(4-aminobutyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 163540718
2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propoxy]ethyl methanesulfonate
CID 161284436
5-[3-(2-azidoethoxy)propyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 150115701
5-[3-[2-(2-azidoethoxy)ethoxy]propyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 171566813
2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]isoindole-1,3-dione
CID 147119845
[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl trifluoromethanesulfonate
CID 168872038
2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propoxy]ethyl 4-methylbenzenesulfonate
CID 171566923
2-(2,6-dioxo(115N)azinan-3-yl)isoindole-1,3-dione
CID 46898665

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-(2-phenylmethoxyethyl)isoindole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-(2-phenylmethoxyethyl)isoindole-1,3-dione (CID 146411095) is 2-(2,6-dioxopiperidin-3-yl)-5-(2-phenylmethoxyethyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-(2-phenylmethoxyethyl)isoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-(2-phenylmethoxyethyl)isoindole-1,3-dione is O=C1CCC(N2C(=O)c3ccc(CCOCc4ccccc4)cc3C2=O)C(=O)N1.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-(2-phenylmethoxyethyl)isoindole-1,3-dione?
The InChIKey is XLHIAMUBWSRHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O5/c25-19-9-8-18(20(26)23-19)24-21(27)16-7-6-14(12-17(16)22(24)28)10-11-29-13-15-4-2-1-3-5-15/h1-7,12,18H,8-11,13H2,(H,23,25,26).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-(2-phenylmethoxyethyl)isoindole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-5-(2-phenylmethoxyethyl)isoindole-1,3-dione has a molecular weight of 392.41 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-5-(2-phenylmethoxyethyl)isoindole-1,3-dione is sourced from PubChem (CID 146411095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).