2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-piperidin-3-ylacetamide

C20H22N4O6 — CID 165436323

IUPAC2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-piperidin-3-ylacetamide
SMILESO=C1CCC(N2C(=O)c3cccc(OCC(=O)NC4CCCNC4)c3C2=O)C(=O)N1
InChIInChI=1S/C20H22N4O6/c25-15-7-6-13(18(27)23-15)24-19(28)12-4-1-5-14(17(12)20(24)29)30-10-16(26)22-11-3-2-8-21-9-11/h1,4-5,11,13,21H,2-3,6-10H2,(H,22,26)(H,23,25,27)
InChIKeyRMGBXLJIRFODLS-UHFFFAOYSA-N
MW414.42 g/mol
LogP-0.67
Rot. Bonds5

About 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-piperidin-3-ylacetamide

2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-piperidin-3-ylacetamide (PubChem CID 165436323) has the molecular formula C20H22N4O6 and a molecular weight of 414.42 g/mol. Its IUPAC name is 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-piperidin-3-ylacetamide.

Molecular Properties

Compound Name2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-piperidin-3-ylacetamide
PubChem CID165436323
Molecular FormulaC20H22N4O6
Molecular Weight414.42 g/mol
Exact Mass414.15
IUPAC Name2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-piperidin-3-ylacetamide
SMILESO=C1CCC(N2C(=O)c3cccc(OCC(=O)NC4CCCNC4)c3C2=O)C(=O)N1
InChIInChI=1S/C20H22N4O6/c25-15-7-6-13(18(27)23-15)24-19(28)12-4-1-5-14(17(12)20(24)29)30-10-16(26)22-11-3-2-8-21-9-11/h1,4-5,11,13,21H,2-3,6-10H2,(H,22,26)(H,23,25,27)
InChIKeyRMGBXLJIRFODLS-UHFFFAOYSA-N
XLogP-0.67
TPSA133.91 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.42
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[(3R)-pyrrolidin-3-yl]acetamide;hydrochloride
CID 165436330
2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-ethenylacetamide
CID 166735269
2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl iodide
CID 164925007
N-tert-butyl-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide
CID 134384711
2-(2,6-dioxopiperidin-3-yl)-4-(2-oxo-2-piperazin-1-ylethoxy)isoindole-1,3-dione
CID 155292507
tert-butyl N-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]carbamate
CID 138611967
2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-(3-oxopropyl)acetamide
CID 155195023
12-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]dodecanoic acid
CID 168679816
N-(11-aminoundecyl)-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide
CID 166910064
2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[2-[2-[2-[2-(2-piperidin-4-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide;hydrochloride
CID 155292636
N-(10-aminodecyl)-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;hydrochloride
CID 154612216
N-[2-[2-[2-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]ethoxy]ethoxy]ethyl]-2-hydroxyacetamide
CID 167048791

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-piperidin-3-ylacetamide?
The IUPAC name of 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-piperidin-3-ylacetamide (CID 165436323) is 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-piperidin-3-ylacetamide.
What is the SMILES notation for 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-piperidin-3-ylacetamide?
The canonical SMILES for 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-piperidin-3-ylacetamide is O=C1CCC(N2C(=O)c3cccc(OCC(=O)NC4CCCNC4)c3C2=O)C(=O)N1.
What is the InChIKey of 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-piperidin-3-ylacetamide?
The InChIKey is RMGBXLJIRFODLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O6/c25-15-7-6-13(18(27)23-15)24-19(28)12-4-1-5-14(17(12)20(24)29)30-10-16(26)22-11-3-2-8-21-9-11/h1,4-5,11,13,21H,2-3,6-10H2,(H,22,26)(H,23,25,27).
What are the key properties of 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-piperidin-3-ylacetamide?
2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-piperidin-3-ylacetamide has a molecular weight of 414.42 g/mol, XLogP of -0.67, 5 rotatable bonds, 3 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]oxy-N-piperidin-3-ylacetamide is sourced from PubChem (CID 165436323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).