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

C19H20N2O3 — CID 3160493

IUPAC2-(2-oxo-1-pyridinyl)-1-phenyl-3-piperidin-1-ylpropane-1,3-dione
SMILESO=C(c1ccccc1)C(C(=O)N1CCCCC1)n1ccccc1=O
InChIInChI=1S/C19H20N2O3/c22-16-11-5-8-14-21(16)17(18(23)15-9-3-1-4-10-15)19(24)20-12-6-2-7-13-20/h1,3-5,8-11,14,17H,2,6-7,12-13H2
InChIKeyWJOUKXWMSJAPEF-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.28
Rot. Bonds4

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

2-(2-oxo-1-pyridinyl)-1-phenyl-3-piperidin-1-ylpropane-1,3-dione (PubChem CID 3160493) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-(2-oxo-1-pyridinyl)-1-phenyl-3-piperidin-1-ylpropane-1,3-dione.

Molecular Properties

Compound Name2-(2-oxo-1-pyridinyl)-1-phenyl-3-piperidin-1-ylpropane-1,3-dione
PubChem CID3160493
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name2-(2-oxo-1-pyridinyl)-1-phenyl-3-piperidin-1-ylpropane-1,3-dione
SMILESO=C(c1ccccc1)C(C(=O)N1CCCCC1)n1ccccc1=O
InChIInChI=1S/C19H20N2O3/c22-16-11-5-8-14-21(16)17(18(23)15-9-3-1-4-10-15)19(24)20-12-6-2-7-13-20/h1,3-5,8-11,14,17H,2,6-7,12-13H2
InChIKeyWJOUKXWMSJAPEF-UHFFFAOYSA-N
XLogP2.28
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.28
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 2-(2-oxo-1-pyridinyl)-1-phenyl-3-piperidin-1-ylpropane-1,3-dione?
The IUPAC name of 2-(2-oxo-1-pyridinyl)-1-phenyl-3-piperidin-1-ylpropane-1,3-dione (CID 3160493) is 2-(2-oxo-1-pyridinyl)-1-phenyl-3-piperidin-1-ylpropane-1,3-dione.
What is the SMILES notation for 2-(2-oxo-1-pyridinyl)-1-phenyl-3-piperidin-1-ylpropane-1,3-dione?
The canonical SMILES for 2-(2-oxo-1-pyridinyl)-1-phenyl-3-piperidin-1-ylpropane-1,3-dione is O=C(c1ccccc1)C(C(=O)N1CCCCC1)n1ccccc1=O.
What is the InChIKey of 2-(2-oxo-1-pyridinyl)-1-phenyl-3-piperidin-1-ylpropane-1,3-dione?
The InChIKey is WJOUKXWMSJAPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c22-16-11-5-8-14-21(16)17(18(23)15-9-3-1-4-10-15)19(24)20-12-6-2-7-13-20/h1,3-5,8-11,14,17H,2,6-7,12-13H2.
What are the key properties of 2-(2-oxo-1-pyridinyl)-1-phenyl-3-piperidin-1-ylpropane-1,3-dione?
2-(2-oxo-1-pyridinyl)-1-phenyl-3-piperidin-1-ylpropane-1,3-dione has a molecular weight of 324.38 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1-pyridinyl)-1-phenyl-3-piperidin-1-ylpropane-1,3-dione is sourced from PubChem (CID 3160493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).