1-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-3-methyl-2,3-dihydropyridin-6-one

C17H21FN2O2 — CID 123460177

IUPAC1-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-3-methyl-2,3-dihydropyridin-6-one
SMILESCC1C=CC(=O)N(c2ccc(CN3CCOCC3)c(F)c2)C1
InChIInChI=1S/C17H21FN2O2/c1-13-2-5-17(21)20(11-13)15-4-3-14(16(18)10-15)12-19-6-8-22-9-7-19/h2-5,10,13H,6-9,11-12H2,1H3
InChIKeyYJBNKVOZJLTHFU-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.20
Rot. Bonds3

About 1-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-3-methyl-2,3-dihydropyridin-6-one

1-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-3-methyl-2,3-dihydropyridin-6-one (PubChem CID 123460177) has the molecular formula C17H21FN2O2 and a molecular weight of 304.37 g/mol. Its IUPAC name is 1-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-3-methyl-2,3-dihydropyridin-6-one.

Molecular Properties

Compound Name1-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-3-methyl-2,3-dihydropyridin-6-one
PubChem CID123460177
Molecular FormulaC17H21FN2O2
Molecular Weight304.37 g/mol
Exact Mass304.16
IUPAC Name1-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-3-methyl-2,3-dihydropyridin-6-one
SMILESCC1C=CC(=O)N(c2ccc(CN3CCOCC3)c(F)c2)C1
InChIInChI=1S/C17H21FN2O2/c1-13-2-5-17(21)20(11-13)15-4-3-14(16(18)10-15)12-19-6-8-22-9-7-19/h2-5,10,13H,6-9,11-12H2,1H3
InChIKeyYJBNKVOZJLTHFU-UHFFFAOYSA-N
XLogP2.20
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-3-methyl-2,3-dihydropyridin-6-one?
The IUPAC name of 1-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-3-methyl-2,3-dihydropyridin-6-one (CID 123460177) is 1-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-3-methyl-2,3-dihydropyridin-6-one.
What is the SMILES notation for 1-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-3-methyl-2,3-dihydropyridin-6-one?
The canonical SMILES for 1-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-3-methyl-2,3-dihydropyridin-6-one is CC1C=CC(=O)N(c2ccc(CN3CCOCC3)c(F)c2)C1.
What is the InChIKey of 1-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-3-methyl-2,3-dihydropyridin-6-one?
The InChIKey is YJBNKVOZJLTHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O2/c1-13-2-5-17(21)20(11-13)15-4-3-14(16(18)10-15)12-19-6-8-22-9-7-19/h2-5,10,13H,6-9,11-12H2,1H3.
What are the key properties of 1-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-3-methyl-2,3-dihydropyridin-6-one?
1-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-3-methyl-2,3-dihydropyridin-6-one has a molecular weight of 304.37 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-3-methyl-2,3-dihydropyridin-6-one is sourced from PubChem (CID 123460177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).