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

C20H24N2O4 — CID 122255770

IUPAC2-(4-ethoxyphenoxy)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
SMILESCCOc1ccc(OCC(=O)N2CCCC(Oc3ccncc3)C2)cc1
InChIInChI=1S/C20H24N2O4/c1-2-24-16-5-7-17(8-6-16)25-15-20(23)22-13-3-4-19(14-22)26-18-9-11-21-12-10-18/h5-12,19H,2-4,13-15H2,1H3
InChIKeyKTSOGHSDJVKWAZ-UHFFFAOYSA-N
MW356.42 g/mol
LogP2.93
Rot. Bonds7

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

2-(4-ethoxyphenoxy)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone (PubChem CID 122255770) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 2-(4-ethoxyphenoxy)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-ethoxyphenoxy)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
PubChem CID122255770
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name2-(4-ethoxyphenoxy)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
SMILESCCOc1ccc(OCC(=O)N2CCCC(Oc3ccncc3)C2)cc1
InChIInChI=1S/C20H24N2O4/c1-2-24-16-5-7-17(8-6-16)25-15-20(23)22-13-3-4-19(14-22)26-18-9-11-21-12-10-18/h5-12,19H,2-4,13-15H2,1H3
InChIKeyKTSOGHSDJVKWAZ-UHFFFAOYSA-N
XLogP2.93
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-pyridin-3-yloxy-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
CID 122255663
2-(3-methylphenoxy)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
CID 122255771
2-(4-ethoxyphenoxy)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethanone
CID 90617176
2-(2-fluorophenoxy)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
CID 121017974
2-(4-ethoxyphenoxy)-1-[(3S)-3-hydroxypiperidin-1-yl]ethanone
CID 107224272
2-phenylmethoxy-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
CID 122255928
1-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 122256241
2-phenoxy-1-(3-pyridin-4-yloxyazetidin-1-yl)ethanone
CID 154884068
1-(3-pyridin-4-yloxypiperidin-1-yl)-2-pyrrol-1-ylethanone
CID 122255870
3-cyclohexyl-1-(3-pyridin-4-yloxypiperidin-1-yl)propan-1-one
CID 122255705
4-[1-(2-phenoxyacetyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256747
1-(3-pyridin-4-yloxypiperidin-1-yl)but-2-en-1-one
CID 171137326

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenoxy)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone?
The IUPAC name of 2-(4-ethoxyphenoxy)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone (CID 122255770) is 2-(4-ethoxyphenoxy)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(4-ethoxyphenoxy)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone?
The canonical SMILES for 2-(4-ethoxyphenoxy)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone is CCOc1ccc(OCC(=O)N2CCCC(Oc3ccncc3)C2)cc1.
What is the InChIKey of 2-(4-ethoxyphenoxy)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone?
The InChIKey is KTSOGHSDJVKWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-2-24-16-5-7-17(8-6-16)25-15-20(23)22-13-3-4-19(14-22)26-18-9-11-21-12-10-18/h5-12,19H,2-4,13-15H2,1H3.
What are the key properties of 2-(4-ethoxyphenoxy)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone?
2-(4-ethoxyphenoxy)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone has a molecular weight of 356.42 g/mol, XLogP of 2.93, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenoxy)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone is sourced from PubChem (CID 122255770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).