1-(4-fluorophenyl)-2-(2-oxo-1-pyridinyl)-3-piperidin-1-ylpropane-1,3-dione

C19H19FN2O3 — CID 3160487

IUPAC1-(4-fluorophenyl)-2-(2-oxo-1-pyridinyl)-3-piperidin-1-ylpropane-1,3-dione
SMILESO=C(c1ccc(F)cc1)C(C(=O)N1CCCCC1)n1ccccc1=O
InChIInChI=1S/C19H19FN2O3/c20-15-9-7-14(8-10-15)18(24)17(22-13-5-2-6-16(22)23)19(25)21-11-3-1-4-12-21/h2,5-10,13,17H,1,3-4,11-12H2
InChIKeyXCDZZUKIZJTHMU-UHFFFAOYSA-N
MW342.37 g/mol
LogP2.42
Rot. Bonds4

About 1-(4-fluorophenyl)-2-(2-oxo-1-pyridinyl)-3-piperidin-1-ylpropane-1,3-dione

1-(4-fluorophenyl)-2-(2-oxo-1-pyridinyl)-3-piperidin-1-ylpropane-1,3-dione (PubChem CID 3160487) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(2-oxo-1-pyridinyl)-3-piperidin-1-ylpropane-1,3-dione.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(2-oxo-1-pyridinyl)-3-piperidin-1-ylpropane-1,3-dione
PubChem CID3160487
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC Name1-(4-fluorophenyl)-2-(2-oxo-1-pyridinyl)-3-piperidin-1-ylpropane-1,3-dione
SMILESO=C(c1ccc(F)cc1)C(C(=O)N1CCCCC1)n1ccccc1=O
InChIInChI=1S/C19H19FN2O3/c20-15-9-7-14(8-10-15)18(24)17(22-13-5-2-6-16(22)23)19(25)21-11-3-1-4-12-21/h2,5-10,13,17H,1,3-4,11-12H2
InChIKeyXCDZZUKIZJTHMU-UHFFFAOYSA-N
XLogP2.42
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(4-fluorophenyl)-2-(2-oxo-1-pyridinyl)-3-piperidin-1-ylpropane-1,3-dione?
The IUPAC name of 1-(4-fluorophenyl)-2-(2-oxo-1-pyridinyl)-3-piperidin-1-ylpropane-1,3-dione (CID 3160487) is 1-(4-fluorophenyl)-2-(2-oxo-1-pyridinyl)-3-piperidin-1-ylpropane-1,3-dione.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(2-oxo-1-pyridinyl)-3-piperidin-1-ylpropane-1,3-dione?
The canonical SMILES for 1-(4-fluorophenyl)-2-(2-oxo-1-pyridinyl)-3-piperidin-1-ylpropane-1,3-dione is O=C(c1ccc(F)cc1)C(C(=O)N1CCCCC1)n1ccccc1=O.
What is the InChIKey of 1-(4-fluorophenyl)-2-(2-oxo-1-pyridinyl)-3-piperidin-1-ylpropane-1,3-dione?
The InChIKey is XCDZZUKIZJTHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3/c20-15-9-7-14(8-10-15)18(24)17(22-13-5-2-6-16(22)23)19(25)21-11-3-1-4-12-21/h2,5-10,13,17H,1,3-4,11-12H2.
What are the key properties of 1-(4-fluorophenyl)-2-(2-oxo-1-pyridinyl)-3-piperidin-1-ylpropane-1,3-dione?
1-(4-fluorophenyl)-2-(2-oxo-1-pyridinyl)-3-piperidin-1-ylpropane-1,3-dione has a molecular weight of 342.37 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(2-oxo-1-pyridinyl)-3-piperidin-1-ylpropane-1,3-dione is sourced from PubChem (CID 3160487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).