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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Related Compounds

Tetrahydroisoquinolinone
CID 66591041
(E)-2-[1-[[(6E)-6-fluoro-3-methylideneocta-1,6-dien-2-yl]amino]ethyl]-N-[(3Z)-4-(2-methyl-1-azabicyclo[2.2.2]oct-2-en-3-yl)buta-1,3-dien-2-yl]but-2-enamide
CID 89221834
6-fluoro-3,4,6,7-tetrahydro-2H-isoquinolin-1-one
CID 117681939
6,8-difluoro-3,4,4a,5-tetrahydro-2H-isoquinolin-1-one
CID 123314634
N-[(4-fluoropiperidin-4-yl)methyl]-3-methyl-2-propan-2-yl-3,4-dihydro-2-benzazepine-6-carboxamide
CID 144867763
7-fluoro-3,4,4a,5-tetrahydro-2H-isoquinolin-1-one
CID 154210590
7-(trifluoromethyl)-3,4,4a,5-tetrahydro-2H-isoquinolin-1-one
CID 163853493
1-(Piperidin-4-ylmethyl)-5-(2,2,2-trifluoroethyl)pyridin-2-one
CID 170075453
3-fluoro-6-piperidin-4-yl-1H-pyridin-2-one
CID 170371650
4-(Aminomethyl)-tetrahydroisoquinolinone
CID 135563818
5-(3-fluoropiperidin-4-yl)-1H-pyridin-2-one
CID 129980192
5-{[1-(4,4,4-trifluorobutanoyl)-4-piperidinyl]methyl}-2(1H)-pyridinone
CID 137334809

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).