2-phenoxy-1-(3-pyridin-4-yloxyazetidin-1-yl)ethanone

C16H16N2O3 — CID 154884068

IUPAC2-phenoxy-1-(3-pyridin-4-yloxyazetidin-1-yl)ethanone
SMILESO=C(COc1ccccc1)N1CC(Oc2ccncc2)C1
InChIInChI=1S/C16H16N2O3/c19-16(12-20-13-4-2-1-3-5-13)18-10-15(11-18)21-14-6-8-17-9-7-14/h1-9,15H,10-12H2
InChIKeyONVAMKGMCPTMQN-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.75
Rot. Bonds5

About 2-phenoxy-1-(3-pyridin-4-yloxyazetidin-1-yl)ethanone

2-phenoxy-1-(3-pyridin-4-yloxyazetidin-1-yl)ethanone (PubChem CID 154884068) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is 2-phenoxy-1-(3-pyridin-4-yloxyazetidin-1-yl)ethanone.

Molecular Properties

Compound Name2-phenoxy-1-(3-pyridin-4-yloxyazetidin-1-yl)ethanone
PubChem CID154884068
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name2-phenoxy-1-(3-pyridin-4-yloxyazetidin-1-yl)ethanone
SMILESO=C(COc1ccccc1)N1CC(Oc2ccncc2)C1
InChIInChI=1S/C16H16N2O3/c19-16(12-20-13-4-2-1-3-5-13)18-10-15(11-18)21-14-6-8-17-9-7-14/h1-9,15H,10-12H2
InChIKeyONVAMKGMCPTMQN-UHFFFAOYSA-N
XLogP1.75
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenoxy-1-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 121186339
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-(3-methylphenoxy)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
CID 122255771
2-(2-fluorophenoxy)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
CID 121017974
1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-phenoxyethanone
CID 670243
4-[1-(2-phenoxyacetyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256747
2-(4-chlorophenoxy)-1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]ethanone
CID 122247949
2-(4-ethylphenoxy)-1-[(3S)-3-phenoxypyrrolidin-1-yl]ethanone
CID 159433651
2-phenylmethoxy-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
CID 122255928
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
3-[3-oxo-3-(3-phenoxyazetidin-1-yl)propyl]sulfanyl-1-(3-phenoxyazetidin-1-yl)propan-1-one
CID 166196585

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-1-(3-pyridin-4-yloxyazetidin-1-yl)ethanone?
The IUPAC name of 2-phenoxy-1-(3-pyridin-4-yloxyazetidin-1-yl)ethanone (CID 154884068) is 2-phenoxy-1-(3-pyridin-4-yloxyazetidin-1-yl)ethanone.
What is the SMILES notation for 2-phenoxy-1-(3-pyridin-4-yloxyazetidin-1-yl)ethanone?
The canonical SMILES for 2-phenoxy-1-(3-pyridin-4-yloxyazetidin-1-yl)ethanone is O=C(COc1ccccc1)N1CC(Oc2ccncc2)C1.
What is the InChIKey of 2-phenoxy-1-(3-pyridin-4-yloxyazetidin-1-yl)ethanone?
The InChIKey is ONVAMKGMCPTMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c19-16(12-20-13-4-2-1-3-5-13)18-10-15(11-18)21-14-6-8-17-9-7-14/h1-9,15H,10-12H2.
What are the key properties of 2-phenoxy-1-(3-pyridin-4-yloxyazetidin-1-yl)ethanone?
2-phenoxy-1-(3-pyridin-4-yloxyazetidin-1-yl)ethanone has a molecular weight of 284.31 g/mol, XLogP of 1.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-1-(3-pyridin-4-yloxyazetidin-1-yl)ethanone is sourced from PubChem (CID 154884068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).