1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-methylpropan-1-one

C13H18FN3O2 — CID 122258285

IUPAC1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCCC(Oc2ncc(F)cn2)C1
InChIInChI=1S/C13H18FN3O2/c1-9(2)12(18)17-5-3-4-11(8-17)19-13-15-6-10(14)7-16-13/h6-7,9,11H,3-5,8H2,1-2H3
InChIKeyNHPOWOCWVISGCG-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.64
Rot. Bonds3

About 1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-methylpropan-1-one

1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-methylpropan-1-one (PubChem CID 122258285) has the molecular formula C13H18FN3O2 and a molecular weight of 267.30 g/mol. Its IUPAC name is 1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-methylpropan-1-one
PubChem CID122258285
Molecular FormulaC13H18FN3O2
Molecular Weight267.30 g/mol
Exact Mass267.14
IUPAC Name1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCCC(Oc2ncc(F)cn2)C1
InChIInChI=1S/C13H18FN3O2/c1-9(2)12(18)17-5-3-4-11(8-17)19-13-15-6-10(14)7-16-13/h6-7,9,11H,3-5,8H2,1-2H3
InChIKeyNHPOWOCWVISGCG-UHFFFAOYSA-N
XLogP1.64
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]ethanone
CID 122258510
[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(4-methylphenyl)methanone
CID 122258311
5-fluoro-2-(1-propan-2-ylsulfonylpiperidin-3-yl)oxypyrimidine
CID 122258659
2-cyclohexyl-1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]ethanone
CID 122258293
2-(4-tert-butylphenyl)-1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]ethanone
CID 122267235
(2-fluorophenyl)-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 122258327
1-[5-[3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carbonyl]thiophen-2-yl]ethanone
CID 122267223
cyclobutyl-[(3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]methanone
CID 129491136
[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 122160225
[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-pyridin-3-ylmethanone
CID 122258424
N-(4-chlorophenyl)-3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carboxamide
CID 122258569
4-[3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carbonyl]-1,3-dihydroimidazol-2-one
CID 122258470

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-methylpropan-1-one (CID 122258285) is 1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CCCC(Oc2ncc(F)cn2)C1.
What is the InChIKey of 1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is NHPOWOCWVISGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O2/c1-9(2)12(18)17-5-3-4-11(8-17)19-13-15-6-10(14)7-16-13/h6-7,9,11H,3-5,8H2,1-2H3.
What are the key properties of 1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-methylpropan-1-one?
1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 267.30 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 122258285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).