5-(2-fluoro-4-methoxyphenyl)-4-hydroxyiminopiperidin-2-one

C12H13FN2O3 — CID 151803941

IUPAC5-(2-fluoro-4-methoxyphenyl)-4-hydroxyiminopiperidin-2-one
SMILESCOc1ccc(C2CNC(=O)CC2=NO)c(F)c1
InChIInChI=1S/C12H13FN2O3/c1-18-7-2-3-8(10(13)4-7)9-6-14-12(16)5-11(9)15-17/h2-4,9,17H,5-6H2,1H3,(H,14,16)
InChIKeyRZEUAPQEJHUDHS-UHFFFAOYSA-N
MW252.24 g/mol
LogP1.27
Rot. Bonds2

About 5-(2-fluoro-4-methoxyphenyl)-4-hydroxyiminopiperidin-2-one

5-(2-fluoro-4-methoxyphenyl)-4-hydroxyiminopiperidin-2-one (PubChem CID 151803941) has the molecular formula C12H13FN2O3 and a molecular weight of 252.24 g/mol. Its IUPAC name is 5-(2-fluoro-4-methoxyphenyl)-4-hydroxyiminopiperidin-2-one.

Molecular Properties

Compound Name5-(2-fluoro-4-methoxyphenyl)-4-hydroxyiminopiperidin-2-one
PubChem CID151803941
Molecular FormulaC12H13FN2O3
Molecular Weight252.24 g/mol
Exact Mass252.09
IUPAC Name5-(2-fluoro-4-methoxyphenyl)-4-hydroxyiminopiperidin-2-one
SMILESCOc1ccc(C2CNC(=O)CC2=NO)c(F)c1
InChIInChI=1S/C12H13FN2O3/c1-18-7-2-3-8(10(13)4-7)9-6-14-12(16)5-11(9)15-17/h2-4,9,17H,5-6H2,1H3,(H,14,16)
InChIKeyRZEUAPQEJHUDHS-UHFFFAOYSA-N
XLogP1.27
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-4-methoxyphenyl)-4-hydroxyiminopiperidin-2-one?
The IUPAC name of 5-(2-fluoro-4-methoxyphenyl)-4-hydroxyiminopiperidin-2-one (CID 151803941) is 5-(2-fluoro-4-methoxyphenyl)-4-hydroxyiminopiperidin-2-one.
What is the SMILES notation for 5-(2-fluoro-4-methoxyphenyl)-4-hydroxyiminopiperidin-2-one?
The canonical SMILES for 5-(2-fluoro-4-methoxyphenyl)-4-hydroxyiminopiperidin-2-one is COc1ccc(C2CNC(=O)CC2=NO)c(F)c1.
What is the InChIKey of 5-(2-fluoro-4-methoxyphenyl)-4-hydroxyiminopiperidin-2-one?
The InChIKey is RZEUAPQEJHUDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O3/c1-18-7-2-3-8(10(13)4-7)9-6-14-12(16)5-11(9)15-17/h2-4,9,17H,5-6H2,1H3,(H,14,16).
What are the key properties of 5-(2-fluoro-4-methoxyphenyl)-4-hydroxyiminopiperidin-2-one?
5-(2-fluoro-4-methoxyphenyl)-4-hydroxyiminopiperidin-2-one has a molecular weight of 252.24 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-4-methoxyphenyl)-4-hydroxyiminopiperidin-2-one is sourced from PubChem (CID 151803941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).