[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(1-methyltriazol-4-yl)methanone

C13H15FN6O2 — CID 122258455

IUPAC[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(1-methyltriazol-4-yl)methanone
SMILESCn1cc(C(=O)N2CCCC(Oc3ncc(F)cn3)C2)nn1
InChIInChI=1S/C13H15FN6O2/c1-19-8-11(17-18-19)12(21)20-4-2-3-10(7-20)22-13-15-5-9(14)6-16-13/h5-6,8,10H,2-4,7H2,1H3
InChIKeyLHGVDNHJHNDZPW-UHFFFAOYSA-N
MW306.30 g/mol
LogP0.43
Rot. Bonds3

About [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(1-methyltriazol-4-yl)methanone

[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(1-methyltriazol-4-yl)methanone (PubChem CID 122258455) has the molecular formula C13H15FN6O2 and a molecular weight of 306.30 g/mol. Its IUPAC name is [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(1-methyltriazol-4-yl)methanone.

Molecular Properties

Compound Name[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(1-methyltriazol-4-yl)methanone
PubChem CID122258455
Molecular FormulaC13H15FN6O2
Molecular Weight306.30 g/mol
Exact Mass306.12
IUPAC Name[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(1-methyltriazol-4-yl)methanone
SMILESCn1cc(C(=O)N2CCCC(Oc3ncc(F)cn3)C2)nn1
InChIInChI=1S/C13H15FN6O2/c1-19-8-11(17-18-19)12(21)20-4-2-3-10(7-20)22-13-15-5-9(14)6-16-13/h5-6,8,10H,2-4,7H2,1H3
InChIKeyLHGVDNHJHNDZPW-UHFFFAOYSA-N
XLogP0.43
TPSA86.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.30
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(1-methyltriazol-4-yl)methanone?
The IUPAC name of [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(1-methyltriazol-4-yl)methanone (CID 122258455) is [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(1-methyltriazol-4-yl)methanone.
What is the SMILES notation for [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(1-methyltriazol-4-yl)methanone?
The canonical SMILES for [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(1-methyltriazol-4-yl)methanone is Cn1cc(C(=O)N2CCCC(Oc3ncc(F)cn3)C2)nn1.
What is the InChIKey of [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(1-methyltriazol-4-yl)methanone?
The InChIKey is LHGVDNHJHNDZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN6O2/c1-19-8-11(17-18-19)12(21)20-4-2-3-10(7-20)22-13-15-5-9(14)6-16-13/h5-6,8,10H,2-4,7H2,1H3.
What are the key properties of [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(1-methyltriazol-4-yl)methanone?
[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(1-methyltriazol-4-yl)methanone has a molecular weight of 306.30 g/mol, XLogP of 0.43, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(1-methyltriazol-4-yl)methanone is sourced from PubChem (CID 122258455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).