3-(3-methoxy-5-methylphenyl)piperidine-2,6-dione

C13H15NO3 — CID 176559595

IUPAC3-(3-methoxy-5-methylphenyl)piperidine-2,6-dione
SMILESCOc1cc(C)cc(C2CCC(=O)NC2=O)c1
InChIInChI=1S/C13H15NO3/c1-8-5-9(7-10(6-8)17-2)11-3-4-12(15)14-13(11)16/h5-7,11H,3-4H2,1-2H3,(H,14,15,16)
InChIKeyKBRWRQRRIQPENI-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.52
Rot. Bonds2

About 3-(3-methoxy-5-methylphenyl)piperidine-2,6-dione

3-(3-methoxy-5-methylphenyl)piperidine-2,6-dione (PubChem CID 176559595) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-(3-methoxy-5-methylphenyl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(3-methoxy-5-methylphenyl)piperidine-2,6-dione
PubChem CID176559595
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name3-(3-methoxy-5-methylphenyl)piperidine-2,6-dione
SMILESCOc1cc(C)cc(C2CCC(=O)NC2=O)c1
InChIInChI=1S/C13H15NO3/c1-8-5-9(7-10(6-8)17-2)11-3-4-12(15)14-13(11)16/h5-7,11H,3-4H2,1-2H3,(H,14,15,16)
InChIKeyKBRWRQRRIQPENI-UHFFFAOYSA-N
XLogP1.52
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 ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-5-methylphenyl)piperidine-2,6-dione?
The IUPAC name of 3-(3-methoxy-5-methylphenyl)piperidine-2,6-dione (CID 176559595) is 3-(3-methoxy-5-methylphenyl)piperidine-2,6-dione.
What is the SMILES notation for 3-(3-methoxy-5-methylphenyl)piperidine-2,6-dione?
The canonical SMILES for 3-(3-methoxy-5-methylphenyl)piperidine-2,6-dione is COc1cc(C)cc(C2CCC(=O)NC2=O)c1.
What is the InChIKey of 3-(3-methoxy-5-methylphenyl)piperidine-2,6-dione?
The InChIKey is KBRWRQRRIQPENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-8-5-9(7-10(6-8)17-2)11-3-4-12(15)14-13(11)16/h5-7,11H,3-4H2,1-2H3,(H,14,15,16).
What are the key properties of 3-(3-methoxy-5-methylphenyl)piperidine-2,6-dione?
3-(3-methoxy-5-methylphenyl)piperidine-2,6-dione has a molecular weight of 233.27 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-5-methylphenyl)piperidine-2,6-dione is sourced from PubChem (CID 176559595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).