2-cyclopropyl-1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]ethanone

C14H18FN3O2 — CID 122258510

IUPAC2-cyclopropyl-1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]ethanone
SMILESO=C(CC1CC1)N1CCCC(Oc2ncc(F)cn2)C1
InChIInChI=1S/C14H18FN3O2/c15-11-7-16-14(17-8-11)20-12-2-1-5-18(9-12)13(19)6-10-3-4-10/h7-8,10,12H,1-6,9H2
InChIKeySHZGQBDAXHHIOW-UHFFFAOYSA-N
MW279.31 g/mol
LogP1.79
Rot. Bonds4

About 2-cyclopropyl-1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]ethanone

2-cyclopropyl-1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]ethanone (PubChem CID 122258510) has the molecular formula C14H18FN3O2 and a molecular weight of 279.31 g/mol. Its IUPAC name is 2-cyclopropyl-1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]ethanone
PubChem CID122258510
Molecular FormulaC14H18FN3O2
Molecular Weight279.31 g/mol
Exact Mass279.14
IUPAC Name2-cyclopropyl-1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]ethanone
SMILESO=C(CC1CC1)N1CCCC(Oc2ncc(F)cn2)C1
InChIInChI=1S/C14H18FN3O2/c15-11-7-16-14(17-8-11)20-12-2-1-5-18(9-12)13(19)6-10-3-4-10/h7-8,10,12H,1-6,9H2
InChIKeySHZGQBDAXHHIOW-UHFFFAOYSA-N
XLogP1.79
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclohexyl-1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]ethanone
CID 122258293
2-cyclopropyl-1-(3-pyrimidin-2-yloxypiperidin-1-yl)ethanone
CID 122160222
2-cyclohexyl-1-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]ethanone
CID 139022938
1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-methylpropan-1-one
CID 122258285
2-(4-tert-butylphenyl)-1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]ethanone
CID 122267235
[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(4-methylphenyl)methanone
CID 122258311
(2-fluorophenyl)-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 122258327
3-(3-chloro-4-fluorophenyl)-1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]propan-1-one
CID 122267241
2-ethoxy-1-[(3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]ethanone
CID 129354368
2-cyclopentyl-1-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]ethanone
CID 122257743
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

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]ethanone?
The IUPAC name of 2-cyclopropyl-1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]ethanone (CID 122258510) is 2-cyclopropyl-1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopropyl-1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopropyl-1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]ethanone is O=C(CC1CC1)N1CCCC(Oc2ncc(F)cn2)C1.
What is the InChIKey of 2-cyclopropyl-1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]ethanone?
The InChIKey is SHZGQBDAXHHIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2/c15-11-7-16-14(17-8-11)20-12-2-1-5-18(9-12)13(19)6-10-3-4-10/h7-8,10,12H,1-6,9H2.
What are the key properties of 2-cyclopropyl-1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]ethanone?
2-cyclopropyl-1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]ethanone has a molecular weight of 279.31 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]ethanone is sourced from PubChem (CID 122258510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).