5-[(4-fluorophenyl)methoxy]-2-(4-methylpiperidine-1-carbonyl)pyran-4-one

C19H20FNO4 — CID 42227168

IUPAC5-[(4-fluorophenyl)methoxy]-2-(4-methylpiperidine-1-carbonyl)pyran-4-one
SMILESCC1CCN(C(=O)c2cc(=O)c(OCc3ccc(F)cc3)co2)CC1
InChIInChI=1S/C19H20FNO4/c1-13-6-8-21(9-7-13)19(23)17-10-16(22)18(12-25-17)24-11-14-2-4-15(20)5-3-14/h2-5,10,12-13H,6-9,11H2,1H3
InChIKeyZUDJDBOQVWQOAB-UHFFFAOYSA-N
MW345.37 g/mol
LogP3.23
Rot. Bonds4

About 5-[(4-fluorophenyl)methoxy]-2-(4-methylpiperidine-1-carbonyl)pyran-4-one

5-[(4-fluorophenyl)methoxy]-2-(4-methylpiperidine-1-carbonyl)pyran-4-one (PubChem CID 42227168) has the molecular formula C19H20FNO4 and a molecular weight of 345.37 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methoxy]-2-(4-methylpiperidine-1-carbonyl)pyran-4-one.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methoxy]-2-(4-methylpiperidine-1-carbonyl)pyran-4-one
PubChem CID42227168
Molecular FormulaC19H20FNO4
Molecular Weight345.37 g/mol
Exact Mass345.14
IUPAC Name5-[(4-fluorophenyl)methoxy]-2-(4-methylpiperidine-1-carbonyl)pyran-4-one
SMILESCC1CCN(C(=O)c2cc(=O)c(OCc3ccc(F)cc3)co2)CC1
InChIInChI=1S/C19H20FNO4/c1-13-6-8-21(9-7-13)19(23)17-10-16(22)18(12-25-17)24-11-14-2-4-15(20)5-3-14/h2-5,10,12-13H,6-9,11H2,1H3
InChIKeyZUDJDBOQVWQOAB-UHFFFAOYSA-N
XLogP3.23
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methoxy]-2-(4-methylpiperidine-1-carbonyl)pyran-4-one?
The IUPAC name of 5-[(4-fluorophenyl)methoxy]-2-(4-methylpiperidine-1-carbonyl)pyran-4-one (CID 42227168) is 5-[(4-fluorophenyl)methoxy]-2-(4-methylpiperidine-1-carbonyl)pyran-4-one.
What is the SMILES notation for 5-[(4-fluorophenyl)methoxy]-2-(4-methylpiperidine-1-carbonyl)pyran-4-one?
The canonical SMILES for 5-[(4-fluorophenyl)methoxy]-2-(4-methylpiperidine-1-carbonyl)pyran-4-one is CC1CCN(C(=O)c2cc(=O)c(OCc3ccc(F)cc3)co2)CC1.
What is the InChIKey of 5-[(4-fluorophenyl)methoxy]-2-(4-methylpiperidine-1-carbonyl)pyran-4-one?
The InChIKey is ZUDJDBOQVWQOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO4/c1-13-6-8-21(9-7-13)19(23)17-10-16(22)18(12-25-17)24-11-14-2-4-15(20)5-3-14/h2-5,10,12-13H,6-9,11H2,1H3.
What are the key properties of 5-[(4-fluorophenyl)methoxy]-2-(4-methylpiperidine-1-carbonyl)pyran-4-one?
5-[(4-fluorophenyl)methoxy]-2-(4-methylpiperidine-1-carbonyl)pyran-4-one has a molecular weight of 345.37 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methoxy]-2-(4-methylpiperidine-1-carbonyl)pyran-4-one is sourced from PubChem (CID 42227168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).