2-(5-chloro-2-oxo-1-pyridinyl)-1-phenyl-3-piperidin-1-ylpropane-1,3-dione

C19H19ClN2O3 — CID 3519572

IUPAC2-(5-chloro-2-oxo-1-pyridinyl)-1-phenyl-3-piperidin-1-ylpropane-1,3-dione
SMILESO=C(c1ccccc1)C(C(=O)N1CCCCC1)n1cc(Cl)ccc1=O
InChIInChI=1S/C19H19ClN2O3/c20-15-9-10-16(23)22(13-15)17(18(24)14-7-3-1-4-8-14)19(25)21-11-5-2-6-12-21/h1,3-4,7-10,13,17H,2,5-6,11-12H2
InChIKeyXVSWVDOJBHYGRU-UHFFFAOYSA-N
MW358.82 g/mol
LogP2.94
Rot. Bonds4

About 2-(5-chloro-2-oxo-1-pyridinyl)-1-phenyl-3-piperidin-1-ylpropane-1,3-dione

2-(5-chloro-2-oxo-1-pyridinyl)-1-phenyl-3-piperidin-1-ylpropane-1,3-dione (PubChem CID 3519572) has the molecular formula C19H19ClN2O3 and a molecular weight of 358.82 g/mol. Its IUPAC name is 2-(5-chloro-2-oxo-1-pyridinyl)-1-phenyl-3-piperidin-1-ylpropane-1,3-dione.

Molecular Properties

Compound Name2-(5-chloro-2-oxo-1-pyridinyl)-1-phenyl-3-piperidin-1-ylpropane-1,3-dione
PubChem CID3519572
Molecular FormulaC19H19ClN2O3
Molecular Weight358.82 g/mol
Exact Mass358.11
IUPAC Name2-(5-chloro-2-oxo-1-pyridinyl)-1-phenyl-3-piperidin-1-ylpropane-1,3-dione
SMILESO=C(c1ccccc1)C(C(=O)N1CCCCC1)n1cc(Cl)ccc1=O
InChIInChI=1S/C19H19ClN2O3/c20-15-9-10-16(23)22(13-15)17(18(24)14-7-3-1-4-8-14)19(25)21-11-5-2-6-12-21/h1,3-4,7-10,13,17H,2,5-6,11-12H2
InChIKeyXVSWVDOJBHYGRU-UHFFFAOYSA-N
XLogP2.94
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.82
LogP ≤ 52.94
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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Related Compounds

1-(azepan-1-yl)-2-(5-chloro-2-oxo-1-pyridinyl)-3-(4-fluorophenyl)propane-1,3-dione
CID 3970669
(2R)-2-(5-chloro-2-oxo-1-pyridinyl)-1-(4-fluorophenyl)-3-piperidin-1-ylpropane-1,3-dione
CID 7317693
2-(5-chloro-2-oxo-1-pyridinyl)-1-(4-fluorophenyl)-3-[4-(piperidine-1-carbonyl)piperidin-1-yl]propane-1,3-dione
CID 3631498
2-(5-bromo-2-oxo-1-pyridinyl)-1-(4-bromophenyl)-3-piperidin-1-ylpropane-1,3-dione
CID 5045047
N-benzyl-1-[2-(5-chloro-2-oxo-1-pyridinyl)-3-oxo-3-phenylpropanoyl]-N-ethylpiperidine-4-carboxamide
CID 3906182
(2R)-2-(5-chloro-2-oxo-1-pyridinyl)-N-cyclohexyl-3-oxo-3-phenylpropanamide
CID 7277060
1-[2-(5-chloro-2-oxo-1-pyridinyl)-3-oxo-3-phenylpropanoyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
CID 3672824
(2S)-2-(5-chloro-2-oxo-1-pyridinyl)-3-oxo-3-phenyl-N-[(1S)-1-phenylethyl]propanamide
CID 7317635
1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-(2-oxo-1-pyridinyl)-3-phenylpropane-1,3-dione
CID 3437654
1-(3-nitrophenyl)-2-(2-oxo-1-pyridinyl)-3-piperidin-1-ylpropane-1,3-dione
CID 3160489
2-[[(2R)-2-(5-chloro-2-oxo-1-pyridinyl)-3-oxo-3-phenylpropanoyl]amino]ethyl-dimethylazanium
CID 7317027
(2S)-2-(5-chloro-2-oxo-1-pyridinyl)-N-[2-(dimethylamino)ethyl]-3-oxo-3-phenylpropanamide
CID 7317030

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-oxo-1-pyridinyl)-1-phenyl-3-piperidin-1-ylpropane-1,3-dione?
The IUPAC name of 2-(5-chloro-2-oxo-1-pyridinyl)-1-phenyl-3-piperidin-1-ylpropane-1,3-dione (CID 3519572) is 2-(5-chloro-2-oxo-1-pyridinyl)-1-phenyl-3-piperidin-1-ylpropane-1,3-dione.
What is the SMILES notation for 2-(5-chloro-2-oxo-1-pyridinyl)-1-phenyl-3-piperidin-1-ylpropane-1,3-dione?
The canonical SMILES for 2-(5-chloro-2-oxo-1-pyridinyl)-1-phenyl-3-piperidin-1-ylpropane-1,3-dione is O=C(c1ccccc1)C(C(=O)N1CCCCC1)n1cc(Cl)ccc1=O.
What is the InChIKey of 2-(5-chloro-2-oxo-1-pyridinyl)-1-phenyl-3-piperidin-1-ylpropane-1,3-dione?
The InChIKey is XVSWVDOJBHYGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O3/c20-15-9-10-16(23)22(13-15)17(18(24)14-7-3-1-4-8-14)19(25)21-11-5-2-6-12-21/h1,3-4,7-10,13,17H,2,5-6,11-12H2.
What are the key properties of 2-(5-chloro-2-oxo-1-pyridinyl)-1-phenyl-3-piperidin-1-ylpropane-1,3-dione?
2-(5-chloro-2-oxo-1-pyridinyl)-1-phenyl-3-piperidin-1-ylpropane-1,3-dione has a molecular weight of 358.82 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-oxo-1-pyridinyl)-1-phenyl-3-piperidin-1-ylpropane-1,3-dione is sourced from PubChem (CID 3519572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).