4-bromo-3-(4-fluoro-2,6-dimethylphenoxy)-1-(1-methylpiperidin-4-yl)pyridin-2-one

C19H22BrFN2O2 — CID 172683263

IUPAC4-bromo-3-(4-fluoro-2,6-dimethylphenoxy)-1-(1-methylpiperidin-4-yl)pyridin-2-one
SMILESCc1cc(F)cc(C)c1Oc1c(Br)ccn(C2CCN(C)CC2)c1=O
InChIInChI=1S/C19H22BrFN2O2/c1-12-10-14(21)11-13(2)17(12)25-18-16(20)6-9-23(19(18)24)15-4-7-22(3)8-5-15/h6,9-11,15H,4-5,7-8H2,1-3H3
InChIKeyARPVGJWELYWHTJ-UHFFFAOYSA-N
MW409.30 g/mol
LogP4.43
Rot. Bonds3

About 4-bromo-3-(4-fluoro-2,6-dimethylphenoxy)-1-(1-methylpiperidin-4-yl)pyridin-2-one

4-bromo-3-(4-fluoro-2,6-dimethylphenoxy)-1-(1-methylpiperidin-4-yl)pyridin-2-one (PubChem CID 172683263) has the molecular formula C19H22BrFN2O2 and a molecular weight of 409.30 g/mol. Its IUPAC name is 4-bromo-3-(4-fluoro-2,6-dimethylphenoxy)-1-(1-methylpiperidin-4-yl)pyridin-2-one.

Molecular Properties

Compound Name4-bromo-3-(4-fluoro-2,6-dimethylphenoxy)-1-(1-methylpiperidin-4-yl)pyridin-2-one
PubChem CID172683263
Molecular FormulaC19H22BrFN2O2
Molecular Weight409.30 g/mol
Exact Mass408.08
IUPAC Name4-bromo-3-(4-fluoro-2,6-dimethylphenoxy)-1-(1-methylpiperidin-4-yl)pyridin-2-one
SMILESCc1cc(F)cc(C)c1Oc1c(Br)ccn(C2CCN(C)CC2)c1=O
InChIInChI=1S/C19H22BrFN2O2/c1-12-10-14(21)11-13(2)17(12)25-18-16(20)6-9-23(19(18)24)15-4-7-22(3)8-5-15/h6,9-11,15H,4-5,7-8H2,1-3H3
InChIKeyARPVGJWELYWHTJ-UHFFFAOYSA-N
XLogP4.43
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.30
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(4-fluoro-2,6-dimethylphenoxy)-1-(1-methylpiperidin-4-yl)pyridin-2-one?
The IUPAC name of 4-bromo-3-(4-fluoro-2,6-dimethylphenoxy)-1-(1-methylpiperidin-4-yl)pyridin-2-one (CID 172683263) is 4-bromo-3-(4-fluoro-2,6-dimethylphenoxy)-1-(1-methylpiperidin-4-yl)pyridin-2-one.
What is the SMILES notation for 4-bromo-3-(4-fluoro-2,6-dimethylphenoxy)-1-(1-methylpiperidin-4-yl)pyridin-2-one?
The canonical SMILES for 4-bromo-3-(4-fluoro-2,6-dimethylphenoxy)-1-(1-methylpiperidin-4-yl)pyridin-2-one is Cc1cc(F)cc(C)c1Oc1c(Br)ccn(C2CCN(C)CC2)c1=O.
What is the InChIKey of 4-bromo-3-(4-fluoro-2,6-dimethylphenoxy)-1-(1-methylpiperidin-4-yl)pyridin-2-one?
The InChIKey is ARPVGJWELYWHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrFN2O2/c1-12-10-14(21)11-13(2)17(12)25-18-16(20)6-9-23(19(18)24)15-4-7-22(3)8-5-15/h6,9-11,15H,4-5,7-8H2,1-3H3.
What are the key properties of 4-bromo-3-(4-fluoro-2,6-dimethylphenoxy)-1-(1-methylpiperidin-4-yl)pyridin-2-one?
4-bromo-3-(4-fluoro-2,6-dimethylphenoxy)-1-(1-methylpiperidin-4-yl)pyridin-2-one has a molecular weight of 409.30 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(4-fluoro-2,6-dimethylphenoxy)-1-(1-methylpiperidin-4-yl)pyridin-2-one is sourced from PubChem (CID 172683263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).