1-(3-methoxy-4-methylphenyl)piperidine-2,4-dione

C13H15NO3 — CID 167629749

IUPAC1-(3-methoxy-4-methylphenyl)piperidine-2,4-dione
SMILESCOc1cc(N2CCC(=O)CC2=O)ccc1C
InChIInChI=1S/C13H15NO3/c1-9-3-4-10(7-12(9)17-2)14-6-5-11(15)8-13(14)16/h3-4,7H,5-6,8H2,1-2H3
InChIKeyGVZXOTCIPHUNDM-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.70
Rot. Bonds2

About 1-(3-methoxy-4-methylphenyl)piperidine-2,4-dione

1-(3-methoxy-4-methylphenyl)piperidine-2,4-dione (PubChem CID 167629749) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-(3-methoxy-4-methylphenyl)piperidine-2,4-dione.

Molecular Properties

Compound Name1-(3-methoxy-4-methylphenyl)piperidine-2,4-dione
PubChem CID167629749
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name1-(3-methoxy-4-methylphenyl)piperidine-2,4-dione
SMILESCOc1cc(N2CCC(=O)CC2=O)ccc1C
InChIInChI=1S/C13H15NO3/c1-9-3-4-10(7-12(9)17-2)14-6-5-11(15)8-13(14)16/h3-4,7H,5-6,8H2,1-2H3
InChIKeyGVZXOTCIPHUNDM-UHFFFAOYSA-N
XLogP1.70
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(3-fluorophenyl)piperidine-2,4-dione
CID 79515239
1-(2-methylpyrimidin-5-yl)piperidine-2,4-dione
CID 83819831
1-(3-methoxy-4-propan-2-ylphenyl)pyrrolidin-2-one
CID 146634256
1-(4-chloro-3-methoxyphenyl)pyrrolidine-2,3-dione
CID 107622002
ethane;1-[4-(3-methoxy-4-methylphenyl)piperazin-1-yl]ethanone
CID 142419477
ethane;1-(3-methoxy-4-methylphenyl)piperazine
CID 144693036
1-(3-methoxy-4-nitrophenyl)pyrrolidin-2-one
CID 166609008
1-(3,4-dimethylphenyl)piperidin-4-one
CID 24690157
1-(3-fluoro-4-methoxyphenyl)piperidin-2-one
CID 142754617
1-(3,4-dimethoxyphenyl)-1,4-diazepan-2-one
CID 82297454
1-(4-methoxyphenyl)pyrrolidine-2,4-dione
CID 79515540
1-(4-methoxy-3-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 54964606

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-4-methylphenyl)piperidine-2,4-dione?
The IUPAC name of 1-(3-methoxy-4-methylphenyl)piperidine-2,4-dione (CID 167629749) is 1-(3-methoxy-4-methylphenyl)piperidine-2,4-dione.
What is the SMILES notation for 1-(3-methoxy-4-methylphenyl)piperidine-2,4-dione?
The canonical SMILES for 1-(3-methoxy-4-methylphenyl)piperidine-2,4-dione is COc1cc(N2CCC(=O)CC2=O)ccc1C.
What is the InChIKey of 1-(3-methoxy-4-methylphenyl)piperidine-2,4-dione?
The InChIKey is GVZXOTCIPHUNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-9-3-4-10(7-12(9)17-2)14-6-5-11(15)8-13(14)16/h3-4,7H,5-6,8H2,1-2H3.
What are the key properties of 1-(3-methoxy-4-methylphenyl)piperidine-2,4-dione?
1-(3-methoxy-4-methylphenyl)piperidine-2,4-dione has a molecular weight of 233.27 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-4-methylphenyl)piperidine-2,4-dione is sourced from PubChem (CID 167629749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).