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

C17H19N3O3 — CID 122255663

IUPAC2-pyridin-3-yloxy-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
SMILESO=C(COc1cccnc1)N1CCCC(Oc2ccncc2)C1
InChIInChI=1S/C17H19N3O3/c21-17(13-22-15-3-1-7-19-11-15)20-10-2-4-16(12-20)23-14-5-8-18-9-6-14/h1,3,5-9,11,16H,2,4,10,12-13H2
InChIKeySNYMYQVQCGJTGW-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.93
Rot. Bonds5

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

2-pyridin-3-yloxy-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone (PubChem CID 122255663) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-pyridin-3-yloxy-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-pyridin-3-yloxy-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
PubChem CID122255663
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name2-pyridin-3-yloxy-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
SMILESO=C(COc1cccnc1)N1CCCC(Oc2ccncc2)C1
InChIInChI=1S/C17H19N3O3/c21-17(13-22-15-3-1-7-19-11-15)20-10-2-4-16(12-20)23-14-5-8-18-9-6-14/h1,3,5-9,11,16H,2,4,10,12-13H2
InChIKeySNYMYQVQCGJTGW-UHFFFAOYSA-N
XLogP1.93
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-2-pyridin-3-yloxyethanone
CID 122258729
2-(3-methylphenoxy)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
CID 122255771
2-(4-ethoxyphenoxy)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
CID 122255770
2-(2-fluorophenoxy)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
CID 121017974
1-[(3S)-3-benzoylpiperidin-1-yl]-2-pyridin-3-yloxyethanone
CID 124751798
2-phenylmethoxy-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
CID 122255928
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
4-[1-(2-phenoxyacetyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256747
1-(2-pyridin-3-yloxyacetyl)pyrrolidine-3-carboxylic acid
CID 119353905
3-cyclohexyl-1-(3-pyridin-4-yloxypiperidin-1-yl)propan-1-one
CID 122255705
2-benzylsulfanyl-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
CID 122255775

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yloxy-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone?
The IUPAC name of 2-pyridin-3-yloxy-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone (CID 122255663) is 2-pyridin-3-yloxy-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone.
What is the SMILES notation for 2-pyridin-3-yloxy-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone?
The canonical SMILES for 2-pyridin-3-yloxy-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone is O=C(COc1cccnc1)N1CCCC(Oc2ccncc2)C1.
What is the InChIKey of 2-pyridin-3-yloxy-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone?
The InChIKey is SNYMYQVQCGJTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c21-17(13-22-15-3-1-7-19-11-15)20-10-2-4-16(12-20)23-14-5-8-18-9-6-14/h1,3,5-9,11,16H,2,4,10,12-13H2.
What are the key properties of 2-pyridin-3-yloxy-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone?
2-pyridin-3-yloxy-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone has a molecular weight of 313.36 g/mol, XLogP of 1.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yloxy-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone is sourced from PubChem (CID 122255663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).