1-ethyl-6-(2-hydroxyphenyl)piperidine-2,5-dione

C13H15NO3 — CID 105492455

IUPAC1-ethyl-6-(2-hydroxyphenyl)piperidine-2,5-dione
SMILESCCN1C(=O)CCC(=O)C1c1ccccc1O
InChIInChI=1S/C13H15NO3/c1-2-14-12(17)8-7-11(16)13(14)9-5-3-4-6-10(9)15/h3-6,13,15H,2,7-8H2,1H3
InChIKeyDYPWETCUXSLUMB-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.64
Rot. Bonds2

About 1-ethyl-6-(2-hydroxyphenyl)piperidine-2,5-dione

1-ethyl-6-(2-hydroxyphenyl)piperidine-2,5-dione (PubChem CID 105492455) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-ethyl-6-(2-hydroxyphenyl)piperidine-2,5-dione.

Molecular Properties

Compound Name1-ethyl-6-(2-hydroxyphenyl)piperidine-2,5-dione
PubChem CID105492455
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name1-ethyl-6-(2-hydroxyphenyl)piperidine-2,5-dione
SMILESCCN1C(=O)CCC(=O)C1c1ccccc1O
InChIInChI=1S/C13H15NO3/c1-2-14-12(17)8-7-11(16)13(14)9-5-3-4-6-10(9)15/h3-6,13,15H,2,7-8H2,1H3
InChIKeyDYPWETCUXSLUMB-UHFFFAOYSA-N
XLogP1.64
TPSA57.61 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 ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-(2-hydroxyphenyl)piperidine-2,5-dione?
The IUPAC name of 1-ethyl-6-(2-hydroxyphenyl)piperidine-2,5-dione (CID 105492455) is 1-ethyl-6-(2-hydroxyphenyl)piperidine-2,5-dione.
What is the SMILES notation for 1-ethyl-6-(2-hydroxyphenyl)piperidine-2,5-dione?
The canonical SMILES for 1-ethyl-6-(2-hydroxyphenyl)piperidine-2,5-dione is CCN1C(=O)CCC(=O)C1c1ccccc1O.
What is the InChIKey of 1-ethyl-6-(2-hydroxyphenyl)piperidine-2,5-dione?
The InChIKey is DYPWETCUXSLUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-2-14-12(17)8-7-11(16)13(14)9-5-3-4-6-10(9)15/h3-6,13,15H,2,7-8H2,1H3.
What are the key properties of 1-ethyl-6-(2-hydroxyphenyl)piperidine-2,5-dione?
1-ethyl-6-(2-hydroxyphenyl)piperidine-2,5-dione has a molecular weight of 233.27 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-(2-hydroxyphenyl)piperidine-2,5-dione is sourced from PubChem (CID 105492455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).