2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxymethyl]morpholine-4-carbaldehyde

C19H19N3O7 — CID 171073095

IUPAC2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxymethyl]morpholine-4-carbaldehyde
SMILESO=CN1CCOC(COc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)C1
InChIInChI=1S/C19H19N3O7/c23-10-21-6-7-28-11(8-21)9-29-14-3-1-2-12-16(14)19(27)22(18(12)26)13-4-5-15(24)20-17(13)25/h1-3,10-11,13H,4-9H2,(H,20,24,25)
InChIKeyLLWVPVOEMLYMFA-UHFFFAOYSA-N
MW401.38 g/mol
LogP-0.68
Rot. Bonds5

About 2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxymethyl]morpholine-4-carbaldehyde

2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxymethyl]morpholine-4-carbaldehyde (PubChem CID 171073095) has the molecular formula C19H19N3O7 and a molecular weight of 401.38 g/mol. Its IUPAC name is 2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxymethyl]morpholine-4-carbaldehyde.

Molecular Properties

Compound Name2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxymethyl]morpholine-4-carbaldehyde
PubChem CID171073095
Molecular FormulaC19H19N3O7
Molecular Weight401.38 g/mol
Exact Mass401.12
IUPAC Name2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxymethyl]morpholine-4-carbaldehyde
SMILESO=CN1CCOC(COc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)C1
InChIInChI=1S/C19H19N3O7/c23-10-21-6-7-28-11(8-21)9-29-14-3-1-2-12-16(14)19(27)22(18(12)26)13-4-5-15(24)20-17(13)25/h1-3,10-11,13H,4-9H2,(H,20,24,25)
InChIKeyLLWVPVOEMLYMFA-UHFFFAOYSA-N
XLogP-0.68
TPSA122.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.38
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(2,6-dioxopiperidin-3-yl)-4-ethoxyisoindole-1,3-dione;ethane
CID 166167636
2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl iodide
CID 164925007
2-(2,6-dioxopiperidin-3-yl)-4-methoxyisoindole-1,3-dione
CID 158666282
2-(2,6-dioxopiperidin-3-yl)-4-(2-piperazin-1-ylethoxy)isoindole-1,3-dione
CID 155292487
4-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 155292143
4-(8-aminooctoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 121448705
4-(5-aminopentoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride
CID 146150393
4-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride
CID 155292142
2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-ethenylacetamide
CID 166735269
4-[[2-(aminomethyl)morpholin-4-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167716654
4-[3-[(3R)-3-aminopyrrolidin-1-yl]propoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 177098322
2-[4-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxymethyl]piperidin-1-yl]methyl]piperidin-1-yl]acetic acid
CID 175971460

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxymethyl]morpholine-4-carbaldehyde?
The IUPAC name of 2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxymethyl]morpholine-4-carbaldehyde (CID 171073095) is 2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxymethyl]morpholine-4-carbaldehyde.
What is the SMILES notation for 2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxymethyl]morpholine-4-carbaldehyde?
The canonical SMILES for 2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxymethyl]morpholine-4-carbaldehyde is O=CN1CCOC(COc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)C1.
What is the InChIKey of 2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxymethyl]morpholine-4-carbaldehyde?
The InChIKey is LLWVPVOEMLYMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O7/c23-10-21-6-7-28-11(8-21)9-29-14-3-1-2-12-16(14)19(27)22(18(12)26)13-4-5-15(24)20-17(13)25/h1-3,10-11,13H,4-9H2,(H,20,24,25).
What are the key properties of 2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxymethyl]morpholine-4-carbaldehyde?
2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxymethyl]morpholine-4-carbaldehyde has a molecular weight of 401.38 g/mol, XLogP of -0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxymethyl]morpholine-4-carbaldehyde is sourced from PubChem (CID 171073095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).