6-ethenyl-5-(1-fluoroethenyl)-3-piperidin-4-yl-1H-pyridin-2-one

C14H17FN2O — CID 143228143

IUPAC6-ethenyl-5-(1-fluoroethenyl)-3-piperidin-4-yl-1H-pyridin-2-one
SMILESC=Cc1[nH]c(=O)c(C2CCNCC2)cc1C(=C)F
InChIInChI=1S/C14H17FN2O/c1-3-13-11(9(2)15)8-12(14(18)17-13)10-4-6-16-7-5-10/h3,8,10,16H,1-2,4-7H2,(H,17,18)
InChIKeyMLRUCJUJJZAQIB-UHFFFAOYSA-N
MW248.30 g/mol
LogP2.43
Rot. Bonds3

About 6-ethenyl-5-(1-fluoroethenyl)-3-piperidin-4-yl-1H-pyridin-2-one

6-ethenyl-5-(1-fluoroethenyl)-3-piperidin-4-yl-1H-pyridin-2-one (PubChem CID 143228143) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is 6-ethenyl-5-(1-fluoroethenyl)-3-piperidin-4-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-ethenyl-5-(1-fluoroethenyl)-3-piperidin-4-yl-1H-pyridin-2-one
PubChem CID143228143
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC Name6-ethenyl-5-(1-fluoroethenyl)-3-piperidin-4-yl-1H-pyridin-2-one
SMILESC=Cc1[nH]c(=O)c(C2CCNCC2)cc1C(=C)F
InChIInChI=1S/C14H17FN2O/c1-3-13-11(9(2)15)8-12(14(18)17-13)10-4-6-16-7-5-10/h3,8,10,16H,1-2,4-7H2,(H,17,18)
InChIKeyMLRUCJUJJZAQIB-UHFFFAOYSA-N
XLogP2.43
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-5-(1-fluoroethenyl)-3-piperidin-4-yl-1H-pyridin-2-one?
The IUPAC name of 6-ethenyl-5-(1-fluoroethenyl)-3-piperidin-4-yl-1H-pyridin-2-one (CID 143228143) is 6-ethenyl-5-(1-fluoroethenyl)-3-piperidin-4-yl-1H-pyridin-2-one.
What is the SMILES notation for 6-ethenyl-5-(1-fluoroethenyl)-3-piperidin-4-yl-1H-pyridin-2-one?
The canonical SMILES for 6-ethenyl-5-(1-fluoroethenyl)-3-piperidin-4-yl-1H-pyridin-2-one is C=Cc1[nH]c(=O)c(C2CCNCC2)cc1C(=C)F.
What is the InChIKey of 6-ethenyl-5-(1-fluoroethenyl)-3-piperidin-4-yl-1H-pyridin-2-one?
The InChIKey is MLRUCJUJJZAQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c1-3-13-11(9(2)15)8-12(14(18)17-13)10-4-6-16-7-5-10/h3,8,10,16H,1-2,4-7H2,(H,17,18).
What are the key properties of 6-ethenyl-5-(1-fluoroethenyl)-3-piperidin-4-yl-1H-pyridin-2-one?
6-ethenyl-5-(1-fluoroethenyl)-3-piperidin-4-yl-1H-pyridin-2-one has a molecular weight of 248.30 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-5-(1-fluoroethenyl)-3-piperidin-4-yl-1H-pyridin-2-one is sourced from PubChem (CID 143228143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).