2-[1-(methoxymethyl)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione

C15H14N2O5 — CID 11289629

IUPAC2-[1-(methoxymethyl)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione
SMILESCOCN1C(=O)CCC(N2C(=O)c3ccccc3C2=O)C1=O
InChIInChI=1S/C15H14N2O5/c1-22-8-16-12(18)7-6-11(15(16)21)17-13(19)9-4-2-3-5-10(9)14(17)20/h2-5,11H,6-8H2,1H3
InChIKeyLGMOCBYVQVWKKA-UHFFFAOYSA-N
MW302.29 g/mol
LogP0.40
Rot. Bonds3

About 2-[1-(methoxymethyl)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione

2-[1-(methoxymethyl)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione (PubChem CID 11289629) has the molecular formula C15H14N2O5 and a molecular weight of 302.29 g/mol. Its IUPAC name is 2-[1-(methoxymethyl)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[1-(methoxymethyl)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione
PubChem CID11289629
Molecular FormulaC15H14N2O5
Molecular Weight302.29 g/mol
Exact Mass302.09
IUPAC Name2-[1-(methoxymethyl)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione
SMILESCOCN1C(=O)CCC(N2C(=O)c3ccccc3C2=O)C1=O
InChIInChI=1S/C15H14N2O5/c1-22-8-16-12(18)7-6-11(15(16)21)17-13(19)9-4-2-3-5-10(9)14(17)20/h2-5,11H,6-8H2,1H3
InChIKeyLGMOCBYVQVWKKA-UHFFFAOYSA-N
XLogP0.40
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(3S)-3-(1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-1-yl]methyl 2-(dimethylamino)propanoate
CID 141276654
[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-[2,6-dioxo-1-(2-phenylethyl)piperidin-3-yl]isoindole-1,3-dione
CID 11417136
[3-(1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-1-yl]methyl pyrimidine-4-carboxylate
CID 141276656
[3-(1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-1-yl]methyl (2S)-3-methyl-2-pyrrolidin-1-ylbutanoate;hydrochloride
CID 68707491
[(3S)-3-(1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-1-yl]methyl 2-[(2-pyrrolidin-1-ylacetyl)amino]propanoate
CID 141276609
[3-(1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-1-yl]methyl oxane-3-carboxylate
CID 176626236
[(3S)-3-(1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-1-yl]methyl (2S)-2-(2-pyrrolidin-1-ylpropanoylamino)propanoate
CID 141276668
2-[(3S)-7-chloro-1-(methoxymethyl)-2-oxo-3,4-dihydroquinolin-3-yl]isoindole-1,3-dione
CID 57183210
methyl (2S)-2-(2-aminobutanoylamino)-4-[(3S)-3-(1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-1-yl]-3-methylbutanoate
CID 66546659
2-[1-(2-ethoxyethyl)-2,6-dioxopiperidin-3-yl]-4-fluoroisoindole-1,3-dione
CID 139529054

Frequently Asked Questions

What is the IUPAC name of 2-[1-(methoxymethyl)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione?
The IUPAC name of 2-[1-(methoxymethyl)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione (CID 11289629) is 2-[1-(methoxymethyl)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-[1-(methoxymethyl)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione?
The canonical SMILES for 2-[1-(methoxymethyl)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione is COCN1C(=O)CCC(N2C(=O)c3ccccc3C2=O)C1=O.
What is the InChIKey of 2-[1-(methoxymethyl)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione?
The InChIKey is LGMOCBYVQVWKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O5/c1-22-8-16-12(18)7-6-11(15(16)21)17-13(19)9-4-2-3-5-10(9)14(17)20/h2-5,11H,6-8H2,1H3.
What are the key properties of 2-[1-(methoxymethyl)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione?
2-[1-(methoxymethyl)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione has a molecular weight of 302.29 g/mol, XLogP of 0.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(methoxymethyl)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione is sourced from PubChem (CID 11289629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).