2-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one

C18H21FN2O2 — CID 56862808

IUPAC2-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one
SMILESCc1c[nH]c(CN2CCOC(c3ccc(F)cc3)C2)c(C)c1=O
InChIInChI=1S/C18H21FN2O2/c1-12-9-20-16(13(2)18(12)22)10-21-7-8-23-17(11-21)14-3-5-15(19)6-4-14/h3-6,9,17H,7-8,10-11H2,1-2H3,(H,20,22)
InChIKeyXIOKYKMCUXDJBU-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.70
Rot. Bonds3

About 2-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one

2-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one (PubChem CID 56862808) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is 2-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one.

Molecular Properties

Compound Name2-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one
PubChem CID56862808
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Name2-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one
SMILESCc1c[nH]c(CN2CCOC(c3ccc(F)cc3)C2)c(C)c1=O
InChIInChI=1S/C18H21FN2O2/c1-12-9-20-16(13(2)18(12)22)10-21-7-8-23-17(11-21)14-3-5-15(19)6-4-14/h3-6,9,17H,7-8,10-11H2,1-2H3,(H,20,22)
InChIKeyXIOKYKMCUXDJBU-UHFFFAOYSA-N
XLogP2.70
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one?
The IUPAC name of 2-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one (CID 56862808) is 2-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one.
What is the SMILES notation for 2-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one?
The canonical SMILES for 2-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one is Cc1c[nH]c(CN2CCOC(c3ccc(F)cc3)C2)c(C)c1=O.
What is the InChIKey of 2-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one?
The InChIKey is XIOKYKMCUXDJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-12-9-20-16(13(2)18(12)22)10-21-7-8-23-17(11-21)14-3-5-15(19)6-4-14/h3-6,9,17H,7-8,10-11H2,1-2H3,(H,20,22).
What are the key properties of 2-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one?
2-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one has a molecular weight of 316.38 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one is sourced from PubChem (CID 56862808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).