1-[2-(2-methoxyphenyl)-2-oxoethyl]-4,4-dimethylpiperidine-2,6-dione

C16H19NO4 — CID 62933610

IUPAC1-[2-(2-methoxyphenyl)-2-oxoethyl]-4,4-dimethylpiperidine-2,6-dione
SMILESCOc1ccccc1C(=O)CN1C(=O)CC(C)(C)CC1=O
InChIInChI=1S/C16H19NO4/c1-16(2)8-14(19)17(15(20)9-16)10-12(18)11-6-4-5-7-13(11)21-3/h4-7H,8-10H2,1-3H3
InChIKeyWWTKFGFKQVPYAN-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.05
Rot. Bonds4

About 1-[2-(2-methoxyphenyl)-2-oxoethyl]-4,4-dimethylpiperidine-2,6-dione

1-[2-(2-methoxyphenyl)-2-oxoethyl]-4,4-dimethylpiperidine-2,6-dione (PubChem CID 62933610) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenyl)-2-oxoethyl]-4,4-dimethylpiperidine-2,6-dione.

Molecular Properties

Compound Name1-[2-(2-methoxyphenyl)-2-oxoethyl]-4,4-dimethylpiperidine-2,6-dione
PubChem CID62933610
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name1-[2-(2-methoxyphenyl)-2-oxoethyl]-4,4-dimethylpiperidine-2,6-dione
SMILESCOc1ccccc1C(=O)CN1C(=O)CC(C)(C)CC1=O
InChIInChI=1S/C16H19NO4/c1-16(2)8-14(19)17(15(20)9-16)10-12(18)11-6-4-5-7-13(11)21-3/h4-7H,8-10H2,1-3H3
InChIKeyWWTKFGFKQVPYAN-UHFFFAOYSA-N
XLogP2.05
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.05
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

3-[2-(2-methoxyphenyl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7609851
1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665
2-(4-hydroxy-4-methylazepan-1-yl)-1-(2-methoxyphenyl)ethanone
CID 107405297
1-(2-methoxyphenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanone
CID 62777985
3'-[2-(2-methoxyphenyl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 18097549
1-[2-(2-methoxyphenyl)-2-oxoethyl]-6-methylpyridin-2-one
CID 62024011
1-[2-(2-methoxy-4-methylphenyl)-2-oxoethyl]piperidine-2,6-dione
CID 62024881
4,4-dimethyl-1-[2-(3-methylphenyl)-2-oxoethyl]piperidine-2,6-dione
CID 62934469
1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]-4,4-dimethylpiperidine-2,6-dione
CID 62935317
(5S)-3-[2-(2-methoxyphenyl)-2-oxoethyl]-5-methyl-1-phenylimidazolidine-2,4-dione
CID 39026900
(4S)-3'-[2-(2-methoxyphenyl)-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 2085965
2-fluoro-1-(2-methoxyphenyl)ethanone
CID 11816076

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenyl)-2-oxoethyl]-4,4-dimethylpiperidine-2,6-dione?
The IUPAC name of 1-[2-(2-methoxyphenyl)-2-oxoethyl]-4,4-dimethylpiperidine-2,6-dione (CID 62933610) is 1-[2-(2-methoxyphenyl)-2-oxoethyl]-4,4-dimethylpiperidine-2,6-dione.
What is the SMILES notation for 1-[2-(2-methoxyphenyl)-2-oxoethyl]-4,4-dimethylpiperidine-2,6-dione?
The canonical SMILES for 1-[2-(2-methoxyphenyl)-2-oxoethyl]-4,4-dimethylpiperidine-2,6-dione is COc1ccccc1C(=O)CN1C(=O)CC(C)(C)CC1=O.
What is the InChIKey of 1-[2-(2-methoxyphenyl)-2-oxoethyl]-4,4-dimethylpiperidine-2,6-dione?
The InChIKey is WWTKFGFKQVPYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-16(2)8-14(19)17(15(20)9-16)10-12(18)11-6-4-5-7-13(11)21-3/h4-7H,8-10H2,1-3H3.
What are the key properties of 1-[2-(2-methoxyphenyl)-2-oxoethyl]-4,4-dimethylpiperidine-2,6-dione?
1-[2-(2-methoxyphenyl)-2-oxoethyl]-4,4-dimethylpiperidine-2,6-dione has a molecular weight of 289.33 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyphenyl)-2-oxoethyl]-4,4-dimethylpiperidine-2,6-dione is sourced from PubChem (CID 62933610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).