4-(3-methoxyphenyl)-3-methylpiperidine-2,6-dione

C13H15NO3 — CID 79317793

IUPAC4-(3-methoxyphenyl)-3-methylpiperidine-2,6-dione
SMILESCOc1cccc(C2CC(=O)NC(=O)C2C)c1
InChIInChI=1S/C13H15NO3/c1-8-11(7-12(15)14-13(8)16)9-4-3-5-10(6-9)17-2/h3-6,8,11H,7H2,1-2H3,(H,14,15,16)
InChIKeyUADPIVPYOZPJGT-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.46
Rot. Bonds2

About 4-(3-methoxyphenyl)-3-methylpiperidine-2,6-dione

4-(3-methoxyphenyl)-3-methylpiperidine-2,6-dione (PubChem CID 79317793) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-3-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-3-methylpiperidine-2,6-dione
PubChem CID79317793
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name4-(3-methoxyphenyl)-3-methylpiperidine-2,6-dione
SMILESCOc1cccc(C2CC(=O)NC(=O)C2C)c1
InChIInChI=1S/C13H15NO3/c1-8-11(7-12(15)14-13(8)16)9-4-3-5-10(6-9)17-2/h3-6,8,11H,7H2,1-2H3,(H,14,15,16)
InChIKeyUADPIVPYOZPJGT-UHFFFAOYSA-N
XLogP1.46
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R,4S)-4-(3-methoxyphenyl)-3-methylpyrrolidin-2-one
CID 126653334
3-(3-methoxyphenyl)pyrrolidine-2,5-dione;tribromoborane
CID 157349957
7-(3-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 16763371
5-hydroxy-4-(3-methoxyphenyl)-5-methylpyrrolidin-2-one
CID 71170186
methyl (4S)-4-(3-methoxyphenyl)-2-oxopyrrolidine-3-carboxylate
CID 134409869
(7R)-7-(3-methoxyphenyl)-5-oxo-3-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid
CID 26413809
4-(4-tert-butylphenyl)-3-methylpiperidine-2,6-dione
CID 79318100
(7S)-7-(3-methoxyphenyl)-3-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 94086133
ethyl 3-(3-methoxyphenyl)-5-oxopyrrolidine-2-carboxylate
CID 105360187
1-[(1S,2S)-2-(3-methoxyphenyl)cyclopropyl]ethanone
CID 28912388
6-(3-methoxyphenyl)piperidine-2,4-dione
CID 83822055
4-(3,5-dimethoxyphenyl)-3-ethylpiperidine-2,6-dione
CID 79321452

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-3-methylpiperidine-2,6-dione?
The IUPAC name of 4-(3-methoxyphenyl)-3-methylpiperidine-2,6-dione (CID 79317793) is 4-(3-methoxyphenyl)-3-methylpiperidine-2,6-dione.
What is the SMILES notation for 4-(3-methoxyphenyl)-3-methylpiperidine-2,6-dione?
The canonical SMILES for 4-(3-methoxyphenyl)-3-methylpiperidine-2,6-dione is COc1cccc(C2CC(=O)NC(=O)C2C)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-3-methylpiperidine-2,6-dione?
The InChIKey is UADPIVPYOZPJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-8-11(7-12(15)14-13(8)16)9-4-3-5-10(6-9)17-2/h3-6,8,11H,7H2,1-2H3,(H,14,15,16).
What are the key properties of 4-(3-methoxyphenyl)-3-methylpiperidine-2,6-dione?
4-(3-methoxyphenyl)-3-methylpiperidine-2,6-dione has a molecular weight of 233.27 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-3-methylpiperidine-2,6-dione is sourced from PubChem (CID 79317793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).