4-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-1-methylpyridin-2-one

C15H17FN4O — CID 138379444

IUPAC4-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-1-methylpyridin-2-one
SMILESCn1ccc(C2CCN(c3ncc(F)cn3)CC2)cc1=O
InChIInChI=1S/C15H17FN4O/c1-19-5-2-12(8-14(19)21)11-3-6-20(7-4-11)15-17-9-13(16)10-18-15/h2,5,8-11H,3-4,6-7H2,1H3
InChIKeyQQOXMXPHEBRDLI-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.70
Rot. Bonds2

About 4-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-1-methylpyridin-2-one

4-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-1-methylpyridin-2-one (PubChem CID 138379444) has the molecular formula C15H17FN4O and a molecular weight of 288.33 g/mol. Its IUPAC name is 4-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-1-methylpyridin-2-one
PubChem CID138379444
Molecular FormulaC15H17FN4O
Molecular Weight288.33 g/mol
Exact Mass288.14
IUPAC Name4-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-1-methylpyridin-2-one
SMILESCn1ccc(C2CCN(c3ncc(F)cn3)CC2)cc1=O
InChIInChI=1S/C15H17FN4O/c1-19-5-2-12(8-14(19)21)11-3-6-20(7-4-11)15-17-9-13(16)10-18-15/h2,5,8-11H,3-4,6-7H2,1H3
InChIKeyQQOXMXPHEBRDLI-UHFFFAOYSA-N
XLogP1.70
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-1-methylpyridin-2-one?
The IUPAC name of 4-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-1-methylpyridin-2-one (CID 138379444) is 4-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-1-methylpyridin-2-one.
What is the SMILES notation for 4-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-1-methylpyridin-2-one?
The canonical SMILES for 4-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-1-methylpyridin-2-one is Cn1ccc(C2CCN(c3ncc(F)cn3)CC2)cc1=O.
What is the InChIKey of 4-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-1-methylpyridin-2-one?
The InChIKey is QQOXMXPHEBRDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O/c1-19-5-2-12(8-14(19)21)11-3-6-20(7-4-11)15-17-9-13(16)10-18-15/h2,5,8-11H,3-4,6-7H2,1H3.
What are the key properties of 4-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-1-methylpyridin-2-one?
4-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-1-methylpyridin-2-one has a molecular weight of 288.33 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-1-methylpyridin-2-one is sourced from PubChem (CID 138379444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).