[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-pyrazin-2-ylmethanone

C14H14FN5O2 — CID 122258433

IUPAC[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCCC(Oc2ncc(F)cn2)C1
InChIInChI=1S/C14H14FN5O2/c15-10-6-18-14(19-7-10)22-11-2-1-5-20(9-11)13(21)12-8-16-3-4-17-12/h3-4,6-8,11H,1-2,5,9H2
InChIKeyTVJORIRGILIWHK-UHFFFAOYSA-N
MW303.30 g/mol
LogP1.09
Rot. Bonds3

About [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-pyrazin-2-ylmethanone

[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 122258433) has the molecular formula C14H14FN5O2 and a molecular weight of 303.30 g/mol. Its IUPAC name is [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-pyrazin-2-ylmethanone
PubChem CID122258433
Molecular FormulaC14H14FN5O2
Molecular Weight303.30 g/mol
Exact Mass303.11
IUPAC Name[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCCC(Oc2ncc(F)cn2)C1
InChIInChI=1S/C14H14FN5O2/c15-10-6-18-14(19-7-10)22-11-2-1-5-20(9-11)13(21)12-8-16-3-4-17-12/h3-4,6-8,11H,1-2,5,9H2
InChIKeyTVJORIRGILIWHK-UHFFFAOYSA-N
XLogP1.09
TPSA81.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.30
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-pyrazin-2-ylmethanone (CID 122258433) is [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-pyrazin-2-ylmethanone is O=C(c1cnccn1)N1CCCC(Oc2ncc(F)cn2)C1.
What is the InChIKey of [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is TVJORIRGILIWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN5O2/c15-10-6-18-14(19-7-10)22-11-2-1-5-20(9-11)13(21)12-8-16-3-4-17-12/h3-4,6-8,11H,1-2,5,9H2.
What are the key properties of [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-pyrazin-2-ylmethanone?
[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 303.30 g/mol, XLogP of 1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 122258433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).