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

C13H14FN5O2 — CID 122267237

IUPAC[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(1H-imidazol-5-yl)methanone
SMILESO=C(c1cnc[nH]1)N1CCCC(Oc2ncc(F)cn2)C1
InChIInChI=1S/C13H14FN5O2/c14-9-4-16-13(17-5-9)21-10-2-1-3-19(7-10)12(20)11-6-15-8-18-11/h4-6,8,10H,1-3,7H2,(H,15,18)
InChIKeyGSRXQJIFIGCEEA-UHFFFAOYSA-N
MW291.29 g/mol
LogP1.02
Rot. Bonds3

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

[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(1H-imidazol-5-yl)methanone (PubChem CID 122267237) has the molecular formula C13H14FN5O2 and a molecular weight of 291.29 g/mol. Its IUPAC name is [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(1H-imidazol-5-yl)methanone.

Molecular Properties

Compound Name[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(1H-imidazol-5-yl)methanone
PubChem CID122267237
Molecular FormulaC13H14FN5O2
Molecular Weight291.29 g/mol
Exact Mass291.11
IUPAC Name[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(1H-imidazol-5-yl)methanone
SMILESO=C(c1cnc[nH]1)N1CCCC(Oc2ncc(F)cn2)C1
InChIInChI=1S/C13H14FN5O2/c14-9-4-16-13(17-5-9)21-10-2-1-3-19(7-10)12(20)11-6-15-8-18-11/h4-6,8,10H,1-3,7H2,(H,15,18)
InChIKeyGSRXQJIFIGCEEA-UHFFFAOYSA-N
XLogP1.02
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.29
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(1H-imidazol-5-yl)methanone?
The IUPAC name of [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(1H-imidazol-5-yl)methanone (CID 122267237) is [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(1H-imidazol-5-yl)methanone.
What is the SMILES notation for [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(1H-imidazol-5-yl)methanone?
The canonical SMILES for [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(1H-imidazol-5-yl)methanone is O=C(c1cnc[nH]1)N1CCCC(Oc2ncc(F)cn2)C1.
What is the InChIKey of [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(1H-imidazol-5-yl)methanone?
The InChIKey is GSRXQJIFIGCEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN5O2/c14-9-4-16-13(17-5-9)21-10-2-1-3-19(7-10)12(20)11-6-15-8-18-11/h4-6,8,10H,1-3,7H2,(H,15,18).
What are the key properties of [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(1H-imidazol-5-yl)methanone?
[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(1H-imidazol-5-yl)methanone has a molecular weight of 291.29 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(1H-imidazol-5-yl)methanone is sourced from PubChem (CID 122267237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).