(3-fluoro-4-methoxyphenyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone

C17H18FN3O3 — CID 122259973

IUPAC(3-fluoro-4-methoxyphenyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CCCC(Oc3ccncn3)C2)cc1F
InChIInChI=1S/C17H18FN3O3/c1-23-15-5-4-12(9-14(15)18)17(22)21-8-2-3-13(10-21)24-16-6-7-19-11-20-16/h4-7,9,11,13H,2-3,8,10H2,1H3
InChIKeyAXMRDWMOGNKCDM-UHFFFAOYSA-N
MW331.35 g/mol
LogP2.31
Rot. Bonds4

About (3-fluoro-4-methoxyphenyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone

(3-fluoro-4-methoxyphenyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone (PubChem CID 122259973) has the molecular formula C17H18FN3O3 and a molecular weight of 331.35 g/mol. Its IUPAC name is (3-fluoro-4-methoxyphenyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-fluoro-4-methoxyphenyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone
PubChem CID122259973
Molecular FormulaC17H18FN3O3
Molecular Weight331.35 g/mol
Exact Mass331.13
IUPAC Name(3-fluoro-4-methoxyphenyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CCCC(Oc3ccncn3)C2)cc1F
InChIInChI=1S/C17H18FN3O3/c1-23-15-5-4-12(9-14(15)18)17(22)21-8-2-3-13(10-21)24-16-6-7-19-11-20-16/h4-7,9,11,13H,2-3,8,10H2,1H3
InChIKeyAXMRDWMOGNKCDM-UHFFFAOYSA-N
XLogP2.31
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-pyrimidin-4-yloxypiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 122259782
(3-fluoro-4-methoxyphenyl)-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 122160980
1,3-benzodioxol-5-yl-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 122161050
(3-pyrimidin-4-yloxypiperidin-1-yl)-(3,4,5-triethoxyphenyl)methanone
CID 122259783
(3-fluoro-4-methoxyphenyl)-[(3R)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone
CID 129416784
[3-(dimethylamino)phenyl]-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 122259891
(3-fluoro-4-methoxyphenyl)-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone
CID 91627040
[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 119100344
(3-pyrimidin-4-yloxypiperidin-1-yl)-[3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 122259902
[3-(2,6-dimethylpyrimidin-4-yl)oxypyrrolidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 126852395
[3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 122259907
(4-piperidin-1-ylsulfonylphenyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 122259844

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methoxyphenyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone?
The IUPAC name of (3-fluoro-4-methoxyphenyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone (CID 122259973) is (3-fluoro-4-methoxyphenyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone.
What is the SMILES notation for (3-fluoro-4-methoxyphenyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone?
The canonical SMILES for (3-fluoro-4-methoxyphenyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone is COc1ccc(C(=O)N2CCCC(Oc3ccncn3)C2)cc1F.
What is the InChIKey of (3-fluoro-4-methoxyphenyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone?
The InChIKey is AXMRDWMOGNKCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O3/c1-23-15-5-4-12(9-14(15)18)17(22)21-8-2-3-13(10-21)24-16-6-7-19-11-20-16/h4-7,9,11,13H,2-3,8,10H2,1H3.
What are the key properties of (3-fluoro-4-methoxyphenyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone?
(3-fluoro-4-methoxyphenyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone has a molecular weight of 331.35 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methoxyphenyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone is sourced from PubChem (CID 122259973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).