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

C14H17NO3 — CID 2913314

IUPAC3-[(4-ethoxyphenyl)methyl]piperidine-2,6-dione
SMILESCCOc1ccc(CC2CCC(=O)NC2=O)cc1
InChIInChI=1S/C14H17NO3/c1-2-18-12-6-3-10(4-7-12)9-11-5-8-13(16)15-14(11)17/h3-4,6-7,11H,2,5,8-9H2,1H3,(H,15,16,17)
InChIKeyABJZEFJLHIKWDI-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.68
Rot. Bonds4

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

3-[(4-ethoxyphenyl)methyl]piperidine-2,6-dione (PubChem CID 2913314) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 3-[(4-ethoxyphenyl)methyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[(4-ethoxyphenyl)methyl]piperidine-2,6-dione
PubChem CID2913314
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name3-[(4-ethoxyphenyl)methyl]piperidine-2,6-dione
SMILESCCOc1ccc(CC2CCC(=O)NC2=O)cc1
InChIInChI=1S/C14H17NO3/c1-2-18-12-6-3-10(4-7-12)9-11-5-8-13(16)15-14(11)17/h3-4,6-7,11H,2,5,8-9H2,1H3,(H,15,16,17)
InChIKeyABJZEFJLHIKWDI-UHFFFAOYSA-N
XLogP1.68
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.68
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-ethoxyphenyl)methyl]piperidine-2,6-dione?
The IUPAC name of 3-[(4-ethoxyphenyl)methyl]piperidine-2,6-dione (CID 2913314) is 3-[(4-ethoxyphenyl)methyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[(4-ethoxyphenyl)methyl]piperidine-2,6-dione?
The canonical SMILES for 3-[(4-ethoxyphenyl)methyl]piperidine-2,6-dione is CCOc1ccc(CC2CCC(=O)NC2=O)cc1.
What is the InChIKey of 3-[(4-ethoxyphenyl)methyl]piperidine-2,6-dione?
The InChIKey is ABJZEFJLHIKWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-2-18-12-6-3-10(4-7-12)9-11-5-8-13(16)15-14(11)17/h3-4,6-7,11H,2,5,8-9H2,1H3,(H,15,16,17).
What are the key properties of 3-[(4-ethoxyphenyl)methyl]piperidine-2,6-dione?
3-[(4-ethoxyphenyl)methyl]piperidine-2,6-dione has a molecular weight of 247.29 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethoxyphenyl)methyl]piperidine-2,6-dione is sourced from PubChem (CID 2913314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).