1-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-3,5-dimethylpyridin-2-one

C18H21FN2O2 — CID 72950674

IUPAC1-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-3,5-dimethylpyridin-2-one
SMILESCc1cc(C)c(=O)n(-c2ccc(CN3CCOCC3)c(F)c2)c1
InChIInChI=1S/C18H21FN2O2/c1-13-9-14(2)18(22)21(11-13)16-4-3-15(17(19)10-16)12-20-5-7-23-8-6-20/h3-4,9-11H,5-8,12H2,1-2H3
InChIKeyXOVMWZVLTAXHPZ-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.43
Rot. Bonds3

About 1-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-3,5-dimethylpyridin-2-one

1-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-3,5-dimethylpyridin-2-one (PubChem CID 72950674) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is 1-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-3,5-dimethylpyridin-2-one.

Molecular Properties

Compound Name1-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-3,5-dimethylpyridin-2-one
PubChem CID72950674
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Name1-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-3,5-dimethylpyridin-2-one
SMILESCc1cc(C)c(=O)n(-c2ccc(CN3CCOCC3)c(F)c2)c1
InChIInChI=1S/C18H21FN2O2/c1-13-9-14(2)18(22)21(11-13)16-4-3-15(17(19)10-16)12-20-5-7-23-8-6-20/h3-4,9-11H,5-8,12H2,1-2H3
InChIKeyXOVMWZVLTAXHPZ-UHFFFAOYSA-N
XLogP2.43
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-3,5-dimethylpyridin-2-one?
The IUPAC name of 1-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-3,5-dimethylpyridin-2-one (CID 72950674) is 1-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-3,5-dimethylpyridin-2-one.
What is the SMILES notation for 1-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-3,5-dimethylpyridin-2-one?
The canonical SMILES for 1-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-3,5-dimethylpyridin-2-one is Cc1cc(C)c(=O)n(-c2ccc(CN3CCOCC3)c(F)c2)c1.
What is the InChIKey of 1-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-3,5-dimethylpyridin-2-one?
The InChIKey is XOVMWZVLTAXHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-13-9-14(2)18(22)21(11-13)16-4-3-15(17(19)10-16)12-20-5-7-23-8-6-20/h3-4,9-11H,5-8,12H2,1-2H3.
What are the key properties of 1-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-3,5-dimethylpyridin-2-one?
1-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-3,5-dimethylpyridin-2-one has a molecular weight of 316.38 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-3,5-dimethylpyridin-2-one is sourced from PubChem (CID 72950674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).