2-(4-chlorophenoxy)-1-(3-pyridazin-3-yloxypiperidin-1-yl)ethanone

C17H18ClN3O3 — CID 91627663

IUPAC2-(4-chlorophenoxy)-1-(3-pyridazin-3-yloxypiperidin-1-yl)ethanone
SMILESO=C(COc1ccc(Cl)cc1)N1CCCC(Oc2cccnn2)C1
InChIInChI=1S/C17H18ClN3O3/c18-13-5-7-14(8-6-13)23-12-17(22)21-10-2-3-15(11-21)24-16-4-1-9-19-20-16/h1,4-9,15H,2-3,10-12H2
InChIKeyRPYMANRJPAFWFL-UHFFFAOYSA-N
MW347.80 g/mol
LogP2.58
Rot. Bonds5

About 2-(4-chlorophenoxy)-1-(3-pyridazin-3-yloxypiperidin-1-yl)ethanone

2-(4-chlorophenoxy)-1-(3-pyridazin-3-yloxypiperidin-1-yl)ethanone (PubChem CID 91627663) has the molecular formula C17H18ClN3O3 and a molecular weight of 347.80 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-(3-pyridazin-3-yloxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-(3-pyridazin-3-yloxypiperidin-1-yl)ethanone
PubChem CID91627663
Molecular FormulaC17H18ClN3O3
Molecular Weight347.80 g/mol
Exact Mass347.10
IUPAC Name2-(4-chlorophenoxy)-1-(3-pyridazin-3-yloxypiperidin-1-yl)ethanone
SMILESO=C(COc1ccc(Cl)cc1)N1CCCC(Oc2cccnn2)C1
InChIInChI=1S/C17H18ClN3O3/c18-13-5-7-14(8-6-13)23-12-17(22)21-10-2-3-15(11-21)24-16-4-1-9-19-20-16/h1,4-9,15H,2-3,10-12H2
InChIKeyRPYMANRJPAFWFL-UHFFFAOYSA-N
XLogP2.58
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenoxy)-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone
CID 90638277
2-(4-chlorophenoxy)-1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 122260293
2-cyclopentyl-1-[(3S)-3-pyridazin-3-yloxypiperidin-1-yl]ethanone
CID 100638394
1-(3-pyridazin-3-yloxypiperidin-1-yl)-2-pyridin-3-ylethanone
CID 91627703
4-chloro-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)butan-1-one
CID 90638218
2-(benzimidazol-1-yl)-1-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]ethanone
CID 100637947
N-methyl-N-[2-oxo-2-(3-pyridazin-3-yloxypiperidin-1-yl)ethyl]methanesulfonamide
CID 91627690
2-(4-chlorophenoxy)-1-[3-[(2-chlorophenyl)methoxy]piperidin-1-yl]ethanone
CID 46028843
(3-methoxy-1-methylpyrazol-4-yl)-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]methanone
CID 100639162
2-(4-chlorophenoxy)-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 62535016
2-(4-chlorophenyl)-1-(4-pyridazin-3-yloxypiperidin-1-yl)ethanone
CID 90559291
1-[4-[(3R)-3-pyridazin-3-yloxypiperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 100638372

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-(3-pyridazin-3-yloxypiperidin-1-yl)ethanone?
The IUPAC name of 2-(4-chlorophenoxy)-1-(3-pyridazin-3-yloxypiperidin-1-yl)ethanone (CID 91627663) is 2-(4-chlorophenoxy)-1-(3-pyridazin-3-yloxypiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-(3-pyridazin-3-yloxypiperidin-1-yl)ethanone?
The canonical SMILES for 2-(4-chlorophenoxy)-1-(3-pyridazin-3-yloxypiperidin-1-yl)ethanone is O=C(COc1ccc(Cl)cc1)N1CCCC(Oc2cccnn2)C1.
What is the InChIKey of 2-(4-chlorophenoxy)-1-(3-pyridazin-3-yloxypiperidin-1-yl)ethanone?
The InChIKey is RPYMANRJPAFWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O3/c18-13-5-7-14(8-6-13)23-12-17(22)21-10-2-3-15(11-21)24-16-4-1-9-19-20-16/h1,4-9,15H,2-3,10-12H2.
What are the key properties of 2-(4-chlorophenoxy)-1-(3-pyridazin-3-yloxypiperidin-1-yl)ethanone?
2-(4-chlorophenoxy)-1-(3-pyridazin-3-yloxypiperidin-1-yl)ethanone has a molecular weight of 347.80 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-1-(3-pyridazin-3-yloxypiperidin-1-yl)ethanone is sourced from PubChem (CID 91627663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).