2-(2-fluorophenoxy)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone

C18H19FN2O3 — CID 121017974

IUPAC2-(2-fluorophenoxy)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
SMILESO=C(COc1ccccc1F)N1CCCC(Oc2ccncc2)C1
InChIInChI=1S/C18H19FN2O3/c19-16-5-1-2-6-17(16)23-13-18(22)21-11-3-4-15(12-21)24-14-7-9-20-10-8-14/h1-2,5-10,15H,3-4,11-13H2
InChIKeyPJZAOPUGAAHYKM-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.67
Rot. Bonds5

About 2-(2-fluorophenoxy)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone

2-(2-fluorophenoxy)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone (PubChem CID 121017974) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
PubChem CID121017974
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC Name2-(2-fluorophenoxy)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
SMILESO=C(COc1ccccc1F)N1CCCC(Oc2ccncc2)C1
InChIInChI=1S/C18H19FN2O3/c19-16-5-1-2-6-17(16)23-13-18(22)21-11-3-4-15(12-21)24-14-7-9-20-10-8-14/h1-2,5-10,15H,3-4,11-13H2
InChIKeyPJZAOPUGAAHYKM-UHFFFAOYSA-N
XLogP2.67
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-pyridin-3-yloxy-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
CID 122255663
2-(4-ethoxyphenoxy)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
CID 122255770
2-phenylmethoxy-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
CID 122255928
2-(3-methylphenoxy)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
CID 122255771
2-(2,4-difluorophenyl)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
CID 122255916
(3S)-1-[2-(2-fluorophenoxy)acetyl]piperidine-3-carboxylic acid
CID 81125518
1-(3-pyridin-4-yloxypiperidin-1-yl)-2-pyrrol-1-ylethanone
CID 122255870
2-(2-methylphenoxy)-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone
CID 122161052
2-benzylsulfanyl-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
CID 122255775
2-(2-fluorophenoxy)-1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]ethanone
CID 90637391
2-phenoxy-1-(3-pyridin-4-yloxyazetidin-1-yl)ethanone
CID 154884068
2-(2-fluorophenoxy)-1-[(3S)-3-(triazol-2-yl)pyrrolidin-1-yl]ethanone
CID 124727622

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone?
The IUPAC name of 2-(2-fluorophenoxy)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone (CID 121017974) is 2-(2-fluorophenoxy)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(2-fluorophenoxy)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone?
The canonical SMILES for 2-(2-fluorophenoxy)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone is O=C(COc1ccccc1F)N1CCCC(Oc2ccncc2)C1.
What is the InChIKey of 2-(2-fluorophenoxy)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone?
The InChIKey is PJZAOPUGAAHYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3/c19-16-5-1-2-6-17(16)23-13-18(22)21-11-3-4-15(12-21)24-14-7-9-20-10-8-14/h1-2,5-10,15H,3-4,11-13H2.
What are the key properties of 2-(2-fluorophenoxy)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone?
2-(2-fluorophenoxy)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone has a molecular weight of 330.36 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone is sourced from PubChem (CID 121017974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).