1-(4-fluorophenyl)-3-(4-methylpiperazin-1-yl)-2-(2-oxo-1-pyridinyl)propane-1,3-dione

C19H20FN3O3 — CID 3160486

IUPAC1-(4-fluorophenyl)-3-(4-methylpiperazin-1-yl)-2-(2-oxo-1-pyridinyl)propane-1,3-dione
SMILESCN1CCN(C(=O)C(C(=O)c2ccc(F)cc2)n2ccccc2=O)CC1
InChIInChI=1S/C19H20FN3O3/c1-21-10-12-22(13-11-21)19(26)17(23-9-3-2-4-16(23)24)18(25)14-5-7-15(20)8-6-14/h2-9,17H,10-13H2,1H3
InChIKeyUODBJIYEWALGFZ-UHFFFAOYSA-N
MW357.39 g/mol
LogP1.19
Rot. Bonds4

About 1-(4-fluorophenyl)-3-(4-methylpiperazin-1-yl)-2-(2-oxo-1-pyridinyl)propane-1,3-dione

1-(4-fluorophenyl)-3-(4-methylpiperazin-1-yl)-2-(2-oxo-1-pyridinyl)propane-1,3-dione (PubChem CID 3160486) has the molecular formula C19H20FN3O3 and a molecular weight of 357.39 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(4-methylpiperazin-1-yl)-2-(2-oxo-1-pyridinyl)propane-1,3-dione.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(4-methylpiperazin-1-yl)-2-(2-oxo-1-pyridinyl)propane-1,3-dione
PubChem CID3160486
Molecular FormulaC19H20FN3O3
Molecular Weight357.39 g/mol
Exact Mass357.15
IUPAC Name1-(4-fluorophenyl)-3-(4-methylpiperazin-1-yl)-2-(2-oxo-1-pyridinyl)propane-1,3-dione
SMILESCN1CCN(C(=O)C(C(=O)c2ccc(F)cc2)n2ccccc2=O)CC1
InChIInChI=1S/C19H20FN3O3/c1-21-10-12-22(13-11-21)19(26)17(23-9-3-2-4-16(23)24)18(25)14-5-7-15(20)8-6-14/h2-9,17H,10-13H2,1H3
InChIKeyUODBJIYEWALGFZ-UHFFFAOYSA-N
XLogP1.19
TPSA62.62 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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)-3-(4-methylpiperazin-1-yl)-2-(2-oxo-1-pyridinyl)propane-1,3-dione?
The IUPAC name of 1-(4-fluorophenyl)-3-(4-methylpiperazin-1-yl)-2-(2-oxo-1-pyridinyl)propane-1,3-dione (CID 3160486) is 1-(4-fluorophenyl)-3-(4-methylpiperazin-1-yl)-2-(2-oxo-1-pyridinyl)propane-1,3-dione.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(4-methylpiperazin-1-yl)-2-(2-oxo-1-pyridinyl)propane-1,3-dione?
The canonical SMILES for 1-(4-fluorophenyl)-3-(4-methylpiperazin-1-yl)-2-(2-oxo-1-pyridinyl)propane-1,3-dione is CN1CCN(C(=O)C(C(=O)c2ccc(F)cc2)n2ccccc2=O)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(4-methylpiperazin-1-yl)-2-(2-oxo-1-pyridinyl)propane-1,3-dione?
The InChIKey is UODBJIYEWALGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3/c1-21-10-12-22(13-11-21)19(26)17(23-9-3-2-4-16(23)24)18(25)14-5-7-15(20)8-6-14/h2-9,17H,10-13H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-3-(4-methylpiperazin-1-yl)-2-(2-oxo-1-pyridinyl)propane-1,3-dione?
1-(4-fluorophenyl)-3-(4-methylpiperazin-1-yl)-2-(2-oxo-1-pyridinyl)propane-1,3-dione has a molecular weight of 357.39 g/mol, XLogP of 1.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(4-methylpiperazin-1-yl)-2-(2-oxo-1-pyridinyl)propane-1,3-dione is sourced from PubChem (CID 3160486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).