2-[2-(2-hydroxy-6-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-phenylacetamide

C21H19N3O6 — CID 134571952

IUPAC2-[2-(2-hydroxy-6-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-phenylacetamide
SMILESO=C(COc1cccc2c1C(=O)N(C1CCC(=O)NC1O)C2=O)Nc1ccccc1
InChIInChI=1S/C21H19N3O6/c25-16-10-9-14(19(27)23-16)24-20(28)13-7-4-8-15(18(13)21(24)29)30-11-17(26)22-12-5-2-1-3-6-12/h1-8,14,19,27H,9-11H2,(H,22,26)(H,23,25)
InChIKeyWOGIPOSXAZYTPN-UHFFFAOYSA-N
MW409.40 g/mol
LogP0.90
Rot. Bonds5

About 2-[2-(2-hydroxy-6-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-phenylacetamide

2-[2-(2-hydroxy-6-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-phenylacetamide (PubChem CID 134571952) has the molecular formula C21H19N3O6 and a molecular weight of 409.40 g/mol. Its IUPAC name is 2-[2-(2-hydroxy-6-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-(2-hydroxy-6-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-phenylacetamide
PubChem CID134571952
Molecular FormulaC21H19N3O6
Molecular Weight409.40 g/mol
Exact Mass409.13
IUPAC Name2-[2-(2-hydroxy-6-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-phenylacetamide
SMILESO=C(COc1cccc2c1C(=O)N(C1CCC(=O)NC1O)C2=O)Nc1ccccc1
InChIInChI=1S/C21H19N3O6/c25-16-10-9-14(19(27)23-16)24-20(28)13-7-4-8-15(18(13)21(24)29)30-11-17(26)22-12-5-2-1-3-6-12/h1-8,14,19,27H,9-11H2,(H,22,26)(H,23,25)
InChIKeyWOGIPOSXAZYTPN-UHFFFAOYSA-N
XLogP0.90
TPSA125.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.40
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[2-[2-[2-(2-hydroxy-6-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxy]propanoic acid
CID 167471229
4-[2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]-2-oxoethoxy]-2-(2-hydroxy-6-oxopiperidin-3-yl)isoindole-1,3-dione
CID 170243307
2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-ethenylacetamide
CID 166735269
N-tert-butyl-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide
CID 134384711
4-[3-[3-cyclopentylpropyl(methyl)amino]propoxy]-2-(2-hydroxy-6-oxopiperidin-3-yl)isoindole-1,3-dione
CID 153358744
2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl iodide
CID 164925007
12-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]dodecanoic acid
CID 168679816
2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[(3R)-pyrrolidin-3-yl]acetamide;hydrochloride
CID 165436330
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
tert-butyl N-[2-[4-[[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]phenyl]diazenyl]phenyl]ethyl]carbamate
CID 154688444
2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-piperidin-3-ylacetamide
CID 165436323

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxy-6-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-phenylacetamide?
The IUPAC name of 2-[2-(2-hydroxy-6-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-phenylacetamide (CID 134571952) is 2-[2-(2-hydroxy-6-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-phenylacetamide.
What is the SMILES notation for 2-[2-(2-hydroxy-6-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-phenylacetamide?
The canonical SMILES for 2-[2-(2-hydroxy-6-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-phenylacetamide is O=C(COc1cccc2c1C(=O)N(C1CCC(=O)NC1O)C2=O)Nc1ccccc1.
What is the InChIKey of 2-[2-(2-hydroxy-6-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-phenylacetamide?
The InChIKey is WOGIPOSXAZYTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O6/c25-16-10-9-14(19(27)23-16)24-20(28)13-7-4-8-15(18(13)21(24)29)30-11-17(26)22-12-5-2-1-3-6-12/h1-8,14,19,27H,9-11H2,(H,22,26)(H,23,25).
What are the key properties of 2-[2-(2-hydroxy-6-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-phenylacetamide?
2-[2-(2-hydroxy-6-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-phenylacetamide has a molecular weight of 409.40 g/mol, XLogP of 0.90, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxy-6-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-phenylacetamide is sourced from PubChem (CID 134571952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).