4-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]-1H-pyridin-2-one

C16H19FN4O — CID 138386717

IUPAC4-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]-1H-pyridin-2-one
SMILESCCc1ncnc(N2CCC(c3cc[nH]c(=O)c3)CC2)c1F
InChIInChI=1S/C16H19FN4O/c1-2-13-15(17)16(20-10-19-13)21-7-4-11(5-8-21)12-3-6-18-14(22)9-12/h3,6,9-11H,2,4-5,7-8H2,1H3,(H,18,22)
InChIKeyBVZRJFSWJLTVFU-UHFFFAOYSA-N
MW302.35 g/mol
LogP2.25
Rot. Bonds3

About 4-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]-1H-pyridin-2-one

4-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]-1H-pyridin-2-one (PubChem CID 138386717) has the molecular formula C16H19FN4O and a molecular weight of 302.35 g/mol. Its IUPAC name is 4-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]-1H-pyridin-2-one
PubChem CID138386717
Molecular FormulaC16H19FN4O
Molecular Weight302.35 g/mol
Exact Mass302.15
IUPAC Name4-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]-1H-pyridin-2-one
SMILESCCc1ncnc(N2CCC(c3cc[nH]c(=O)c3)CC2)c1F
InChIInChI=1S/C16H19FN4O/c1-2-13-15(17)16(20-10-19-13)21-7-4-11(5-8-21)12-3-6-18-14(22)9-12/h3,6,9-11H,2,4-5,7-8H2,1H3,(H,18,22)
InChIKeyBVZRJFSWJLTVFU-UHFFFAOYSA-N
XLogP2.25
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]-1H-pyridin-2-one?
The IUPAC name of 4-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]-1H-pyridin-2-one (CID 138386717) is 4-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]-1H-pyridin-2-one?
The canonical SMILES for 4-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]-1H-pyridin-2-one is CCc1ncnc(N2CCC(c3cc[nH]c(=O)c3)CC2)c1F.
What is the InChIKey of 4-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]-1H-pyridin-2-one?
The InChIKey is BVZRJFSWJLTVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O/c1-2-13-15(17)16(20-10-19-13)21-7-4-11(5-8-21)12-3-6-18-14(22)9-12/h3,6,9-11H,2,4-5,7-8H2,1H3,(H,18,22).
What are the key properties of 4-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]-1H-pyridin-2-one?
4-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]-1H-pyridin-2-one has a molecular weight of 302.35 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]-1H-pyridin-2-one is sourced from PubChem (CID 138386717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).