2-[2,6-dioxo-1-(2-phenylethyl)piperidin-3-yl]isoindole-1,3-dione

C21H18N2O4 — CID 11417136

IUPAC2-[2,6-dioxo-1-(2-phenylethyl)piperidin-3-yl]isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3ccccc3C2=O)C(=O)N1CCc1ccccc1
InChIInChI=1S/C21H18N2O4/c24-18-11-10-17(21(27)22(18)13-12-14-6-2-1-3-7-14)23-19(25)15-8-4-5-9-16(15)20(23)26/h1-9,17H,10-13H2
InChIKeyOTDLWDKISPNCQW-UHFFFAOYSA-N
MW362.38 g/mol
LogP2.04
Rot. Bonds4

About 2-[2,6-dioxo-1-(2-phenylethyl)piperidin-3-yl]isoindole-1,3-dione

2-[2,6-dioxo-1-(2-phenylethyl)piperidin-3-yl]isoindole-1,3-dione (PubChem CID 11417136) has the molecular formula C21H18N2O4 and a molecular weight of 362.38 g/mol. Its IUPAC name is 2-[2,6-dioxo-1-(2-phenylethyl)piperidin-3-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2,6-dioxo-1-(2-phenylethyl)piperidin-3-yl]isoindole-1,3-dione
PubChem CID11417136
Molecular FormulaC21H18N2O4
Molecular Weight362.38 g/mol
Exact Mass362.13
IUPAC Name2-[2,6-dioxo-1-(2-phenylethyl)piperidin-3-yl]isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3ccccc3C2=O)C(=O)N1CCc1ccccc1
InChIInChI=1S/C21H18N2O4/c24-18-11-10-17(21(27)22(18)13-12-14-6-2-1-3-7-14)23-19(25)15-8-4-5-9-16(15)20(23)26/h1-9,17H,10-13H2
InChIKeyOTDLWDKISPNCQW-UHFFFAOYSA-N
XLogP2.04
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(methoxymethyl)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione
CID 11289629
2-(1-benzyl-2,6-dioxopiperidin-3-yl)-5-octylisoindole-1,3-dione
CID 161001871
4-aminobutanoic acid;2-[1-(hydroxymethyl)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione
CID 69458289
2-[1-(2-hydroxyethyl)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 69248230
[3-(1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-1-yl]methyl piperidine-1-carbodithioate
CID 44588398
2-(2-phenylethyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 17359933
[(3S)-3-(1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-1-yl]methyl 2-(dimethylamino)propanoate
CID 141276654
4-amino-2-[1-(2-hydroxyethyl)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione;(2S)-2-aminopropanoic acid
CID 160907229
[3-(1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-1-yl]methyl 2-(ethylamino)propanoate
CID 70179441
[(3S)-3-(1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-1-yl]methyl 2-(diethylamino)propanoate
CID 141276601
2-[1-(2-ethoxyethyl)-2,6-dioxopiperidin-3-yl]-4-fluoroisoindole-1,3-dione
CID 139529054
2-[1-(2-methoxyethyl)-2,6-dioxopiperidin-3-yl]-4-nitro-5-phenylmethoxyisoindole-1,3-dione
CID 139529026

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-dioxo-1-(2-phenylethyl)piperidin-3-yl]isoindole-1,3-dione?
The IUPAC name of 2-[2,6-dioxo-1-(2-phenylethyl)piperidin-3-yl]isoindole-1,3-dione (CID 11417136) is 2-[2,6-dioxo-1-(2-phenylethyl)piperidin-3-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2,6-dioxo-1-(2-phenylethyl)piperidin-3-yl]isoindole-1,3-dione?
The canonical SMILES for 2-[2,6-dioxo-1-(2-phenylethyl)piperidin-3-yl]isoindole-1,3-dione is O=C1CCC(N2C(=O)c3ccccc3C2=O)C(=O)N1CCc1ccccc1.
What is the InChIKey of 2-[2,6-dioxo-1-(2-phenylethyl)piperidin-3-yl]isoindole-1,3-dione?
The InChIKey is OTDLWDKISPNCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4/c24-18-11-10-17(21(27)22(18)13-12-14-6-2-1-3-7-14)23-19(25)15-8-4-5-9-16(15)20(23)26/h1-9,17H,10-13H2.
What are the key properties of 2-[2,6-dioxo-1-(2-phenylethyl)piperidin-3-yl]isoindole-1,3-dione?
2-[2,6-dioxo-1-(2-phenylethyl)piperidin-3-yl]isoindole-1,3-dione has a molecular weight of 362.38 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-dioxo-1-(2-phenylethyl)piperidin-3-yl]isoindole-1,3-dione is sourced from PubChem (CID 11417136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).