3-[4-(fluoromethyl)piperidin-1-yl]-1-methylpyrazin-2-one

C11H16FN3O — CID 166604872

IUPAC3-[4-(fluoromethyl)piperidin-1-yl]-1-methylpyrazin-2-one
SMILESCn1ccnc(N2CCC(CF)CC2)c1=O
InChIInChI=1S/C11H16FN3O/c1-14-7-4-13-10(11(14)16)15-5-2-9(8-12)3-6-15/h4,7,9H,2-3,5-6,8H2,1H3
InChIKeyXAACOAXUNPGISR-UHFFFAOYSA-N
MW225.27 g/mol
LogP0.97
Rot. Bonds2

About 3-[4-(fluoromethyl)piperidin-1-yl]-1-methylpyrazin-2-one

3-[4-(fluoromethyl)piperidin-1-yl]-1-methylpyrazin-2-one (PubChem CID 166604872) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is 3-[4-(fluoromethyl)piperidin-1-yl]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-[4-(fluoromethyl)piperidin-1-yl]-1-methylpyrazin-2-one
PubChem CID166604872
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name3-[4-(fluoromethyl)piperidin-1-yl]-1-methylpyrazin-2-one
SMILESCn1ccnc(N2CCC(CF)CC2)c1=O
InChIInChI=1S/C11H16FN3O/c1-14-7-4-13-10(11(14)16)15-5-2-9(8-12)3-6-15/h4,7,9H,2-3,5-6,8H2,1H3
InChIKeyXAACOAXUNPGISR-UHFFFAOYSA-N
XLogP0.97
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(fluoromethyl)piperidin-1-yl]-1-methylpyrazin-2-one?
The IUPAC name of 3-[4-(fluoromethyl)piperidin-1-yl]-1-methylpyrazin-2-one (CID 166604872) is 3-[4-(fluoromethyl)piperidin-1-yl]-1-methylpyrazin-2-one.
What is the SMILES notation for 3-[4-(fluoromethyl)piperidin-1-yl]-1-methylpyrazin-2-one?
The canonical SMILES for 3-[4-(fluoromethyl)piperidin-1-yl]-1-methylpyrazin-2-one is Cn1ccnc(N2CCC(CF)CC2)c1=O.
What is the InChIKey of 3-[4-(fluoromethyl)piperidin-1-yl]-1-methylpyrazin-2-one?
The InChIKey is XAACOAXUNPGISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-14-7-4-13-10(11(14)16)15-5-2-9(8-12)3-6-15/h4,7,9H,2-3,5-6,8H2,1H3.
What are the key properties of 3-[4-(fluoromethyl)piperidin-1-yl]-1-methylpyrazin-2-one?
3-[4-(fluoromethyl)piperidin-1-yl]-1-methylpyrazin-2-one has a molecular weight of 225.27 g/mol, XLogP of 0.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(fluoromethyl)piperidin-1-yl]-1-methylpyrazin-2-one is sourced from PubChem (CID 166604872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).