1-[2-(methoxymethyl)phenyl]piperidine-2,4-dione

C13H15NO3 — CID 79516147

IUPAC1-[2-(methoxymethyl)phenyl]piperidine-2,4-dione
SMILESCOCc1ccccc1N1CCC(=O)CC1=O
InChIInChI=1S/C13H15NO3/c1-17-9-10-4-2-3-5-12(10)14-7-6-11(15)8-13(14)16/h2-5H,6-9H2,1H3
InChIKeyMBKDQNDGICOKQX-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.53
Rot. Bonds3

About 1-[2-(methoxymethyl)phenyl]piperidine-2,4-dione

1-[2-(methoxymethyl)phenyl]piperidine-2,4-dione (PubChem CID 79516147) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-[2-(methoxymethyl)phenyl]piperidine-2,4-dione.

Molecular Properties

Compound Name1-[2-(methoxymethyl)phenyl]piperidine-2,4-dione
PubChem CID79516147
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name1-[2-(methoxymethyl)phenyl]piperidine-2,4-dione
SMILESCOCc1ccccc1N1CCC(=O)CC1=O
InChIInChI=1S/C13H15NO3/c1-17-9-10-4-2-3-5-12(10)14-7-6-11(15)8-13(14)16/h2-5H,6-9H2,1H3
InChIKeyMBKDQNDGICOKQX-UHFFFAOYSA-N
XLogP1.53
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.53
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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Frequently Asked Questions

What is the IUPAC name of 1-[2-(methoxymethyl)phenyl]piperidine-2,4-dione?
The IUPAC name of 1-[2-(methoxymethyl)phenyl]piperidine-2,4-dione (CID 79516147) is 1-[2-(methoxymethyl)phenyl]piperidine-2,4-dione.
What is the SMILES notation for 1-[2-(methoxymethyl)phenyl]piperidine-2,4-dione?
The canonical SMILES for 1-[2-(methoxymethyl)phenyl]piperidine-2,4-dione is COCc1ccccc1N1CCC(=O)CC1=O.
What is the InChIKey of 1-[2-(methoxymethyl)phenyl]piperidine-2,4-dione?
The InChIKey is MBKDQNDGICOKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-17-9-10-4-2-3-5-12(10)14-7-6-11(15)8-13(14)16/h2-5H,6-9H2,1H3.
What are the key properties of 1-[2-(methoxymethyl)phenyl]piperidine-2,4-dione?
1-[2-(methoxymethyl)phenyl]piperidine-2,4-dione has a molecular weight of 233.27 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methoxymethyl)phenyl]piperidine-2,4-dione is sourced from PubChem (CID 79516147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).