[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(5-methylpyrazin-2-yl)methanone

C15H16FN5O2 — CID 122258538

IUPAC[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
SMILESCc1cnc(C(=O)N2CCCC(Oc3ncc(F)cn3)C2)cn1
InChIInChI=1S/C15H16FN5O2/c1-10-5-18-13(8-17-10)14(22)21-4-2-3-12(9-21)23-15-19-6-11(16)7-20-15/h5-8,12H,2-4,9H2,1H3
InChIKeyCYSBSZUPZXYWDF-UHFFFAOYSA-N
MW317.32 g/mol
LogP1.40
Rot. Bonds3

About [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(5-methylpyrazin-2-yl)methanone

[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(5-methylpyrazin-2-yl)methanone (PubChem CID 122258538) has the molecular formula C15H16FN5O2 and a molecular weight of 317.32 g/mol. Its IUPAC name is [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(5-methylpyrazin-2-yl)methanone.

Molecular Properties

Compound Name[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
PubChem CID122258538
Molecular FormulaC15H16FN5O2
Molecular Weight317.32 g/mol
Exact Mass317.13
IUPAC Name[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
SMILESCc1cnc(C(=O)N2CCCC(Oc3ncc(F)cn3)C2)cn1
InChIInChI=1S/C15H16FN5O2/c1-10-5-18-13(8-17-10)14(22)21-4-2-3-12(9-21)23-15-19-6-11(16)7-20-15/h5-8,12H,2-4,9H2,1H3
InChIKeyCYSBSZUPZXYWDF-UHFFFAOYSA-N
XLogP1.40
TPSA81.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 51.40
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]-(5-methylpyrazin-2-yl)methanone?
The IUPAC name of [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(5-methylpyrazin-2-yl)methanone (CID 122258538) is [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(5-methylpyrazin-2-yl)methanone.
What is the SMILES notation for [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
The canonical SMILES for [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(5-methylpyrazin-2-yl)methanone is Cc1cnc(C(=O)N2CCCC(Oc3ncc(F)cn3)C2)cn1.
What is the InChIKey of [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
The InChIKey is CYSBSZUPZXYWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN5O2/c1-10-5-18-13(8-17-10)14(22)21-4-2-3-12(9-21)23-15-19-6-11(16)7-20-15/h5-8,12H,2-4,9H2,1H3.
What are the key properties of [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(5-methylpyrazin-2-yl)methanone has a molecular weight of 317.32 g/mol, XLogP of 1.40, 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]-(5-methylpyrazin-2-yl)methanone is sourced from PubChem (CID 122258538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).