[1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-methyl-1-oxopropan-2-yl] acetate

C15H20FN3O4 — CID 122258526

IUPAC[1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-methyl-1-oxopropan-2-yl] acetate
SMILESCC(=O)OC(C)(C)C(=O)N1CCCC(Oc2ncc(F)cn2)C1
InChIInChI=1S/C15H20FN3O4/c1-10(20)23-15(2,3)13(21)19-6-4-5-12(9-19)22-14-17-7-11(16)8-18-14/h7-8,12H,4-6,9H2,1-3H3
InChIKeyGGCKFGNPSCUTOM-UHFFFAOYSA-N
MW325.34 g/mol
LogP1.33
Rot. Bonds4

About [1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-methyl-1-oxopropan-2-yl] acetate

[1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-methyl-1-oxopropan-2-yl] acetate (PubChem CID 122258526) has the molecular formula C15H20FN3O4 and a molecular weight of 325.34 g/mol. Its IUPAC name is [1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-methyl-1-oxopropan-2-yl] acetate.

Molecular Properties

Compound Name[1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-methyl-1-oxopropan-2-yl] acetate
PubChem CID122258526
Molecular FormulaC15H20FN3O4
Molecular Weight325.34 g/mol
Exact Mass325.14
IUPAC Name[1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-methyl-1-oxopropan-2-yl] acetate
SMILESCC(=O)OC(C)(C)C(=O)N1CCCC(Oc2ncc(F)cn2)C1
InChIInChI=1S/C15H20FN3O4/c1-10(20)23-15(2,3)13(21)19-6-4-5-12(9-19)22-14-17-7-11(16)8-18-14/h7-8,12H,4-6,9H2,1-3H3
InChIKeyGGCKFGNPSCUTOM-UHFFFAOYSA-N
XLogP1.33
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-methyl-1-oxopropan-2-yl] acetate?
The IUPAC name of [1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-methyl-1-oxopropan-2-yl] acetate (CID 122258526) is [1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-methyl-1-oxopropan-2-yl] acetate.
What is the SMILES notation for [1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-methyl-1-oxopropan-2-yl] acetate?
The canonical SMILES for [1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-methyl-1-oxopropan-2-yl] acetate is CC(=O)OC(C)(C)C(=O)N1CCCC(Oc2ncc(F)cn2)C1.
What is the InChIKey of [1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-methyl-1-oxopropan-2-yl] acetate?
The InChIKey is GGCKFGNPSCUTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O4/c1-10(20)23-15(2,3)13(21)19-6-4-5-12(9-19)22-14-17-7-11(16)8-18-14/h7-8,12H,4-6,9H2,1-3H3.
What are the key properties of [1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-methyl-1-oxopropan-2-yl] acetate?
[1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-methyl-1-oxopropan-2-yl] acetate has a molecular weight of 325.34 g/mol, XLogP of 1.33, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-methyl-1-oxopropan-2-yl] acetate is sourced from PubChem (CID 122258526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).