3-[(4-methoxyphenyl)methyl]piperidine-2,6-dione

C13H15NO3 — CID 14531159

IUPAC3-[(4-methoxyphenyl)methyl]piperidine-2,6-dione
SMILESCOc1ccc(CC2CCC(=O)NC2=O)cc1
InChIInChI=1S/C13H15NO3/c1-17-11-5-2-9(3-6-11)8-10-4-7-12(15)14-13(10)16/h2-3,5-6,10H,4,7-8H2,1H3,(H,14,15,16)
InChIKeyHXTAXTMLUYDCOG-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.29
Rot. Bonds3

About 3-[(4-methoxyphenyl)methyl]piperidine-2,6-dione

3-[(4-methoxyphenyl)methyl]piperidine-2,6-dione (PubChem CID 14531159) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)methyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)methyl]piperidine-2,6-dione
PubChem CID14531159
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name3-[(4-methoxyphenyl)methyl]piperidine-2,6-dione
SMILESCOc1ccc(CC2CCC(=O)NC2=O)cc1
InChIInChI=1S/C13H15NO3/c1-17-11-5-2-9(3-6-11)8-10-4-7-12(15)14-13(10)16/h2-3,5-6,10H,4,7-8H2,1H3,(H,14,15,16)
InChIKeyHXTAXTMLUYDCOG-UHFFFAOYSA-N
XLogP1.29
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.29
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-[(4-methoxyphenyl)methyl]piperidine-2,6-dione?
The IUPAC name of 3-[(4-methoxyphenyl)methyl]piperidine-2,6-dione (CID 14531159) is 3-[(4-methoxyphenyl)methyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[(4-methoxyphenyl)methyl]piperidine-2,6-dione?
The canonical SMILES for 3-[(4-methoxyphenyl)methyl]piperidine-2,6-dione is COc1ccc(CC2CCC(=O)NC2=O)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)methyl]piperidine-2,6-dione?
The InChIKey is HXTAXTMLUYDCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-17-11-5-2-9(3-6-11)8-10-4-7-12(15)14-13(10)16/h2-3,5-6,10H,4,7-8H2,1H3,(H,14,15,16).
What are the key properties of 3-[(4-methoxyphenyl)methyl]piperidine-2,6-dione?
3-[(4-methoxyphenyl)methyl]piperidine-2,6-dione has a molecular weight of 233.27 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)methyl]piperidine-2,6-dione is sourced from PubChem (CID 14531159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).