1-(3-pyridazin-3-yloxypiperidin-1-yl)-2-pyridin-3-ylethanone

C16H18N4O2 — CID 91627703

IUPAC1-(3-pyridazin-3-yloxypiperidin-1-yl)-2-pyridin-3-ylethanone
SMILESO=C(Cc1cccnc1)N1CCCC(Oc2cccnn2)C1
InChIInChI=1S/C16H18N4O2/c21-16(10-13-4-1-7-17-11-13)20-9-3-5-14(12-20)22-15-6-2-8-18-19-15/h1-2,4,6-8,11,14H,3,5,9-10,12H2
InChIKeyFYOANLXXXWFXLU-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.48
Rot. Bonds4

About 1-(3-pyridazin-3-yloxypiperidin-1-yl)-2-pyridin-3-ylethanone

1-(3-pyridazin-3-yloxypiperidin-1-yl)-2-pyridin-3-ylethanone (PubChem CID 91627703) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 1-(3-pyridazin-3-yloxypiperidin-1-yl)-2-pyridin-3-ylethanone.

Molecular Properties

Compound Name1-(3-pyridazin-3-yloxypiperidin-1-yl)-2-pyridin-3-ylethanone
PubChem CID91627703
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name1-(3-pyridazin-3-yloxypiperidin-1-yl)-2-pyridin-3-ylethanone
SMILESO=C(Cc1cccnc1)N1CCCC(Oc2cccnn2)C1
InChIInChI=1S/C16H18N4O2/c21-16(10-13-4-1-7-17-11-13)20-9-3-5-14(12-20)22-15-6-2-8-18-19-15/h1-2,4,6-8,11,14H,3,5,9-10,12H2
InChIKeyFYOANLXXXWFXLU-UHFFFAOYSA-N
XLogP1.48
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3R)-3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]-2-pyridin-3-ylethanone
CID 100656722
2-cyclopentyl-1-[(3S)-3-pyridazin-3-yloxypiperidin-1-yl]ethanone
CID 100638394
1-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 100753789
2-(3-methoxyphenyl)-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone
CID 90638339
2-(4-phenylphenyl)-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone
CID 90638326
2-(4-chlorophenoxy)-1-(3-pyridazin-3-yloxypiperidin-1-yl)ethanone
CID 91627663
N-methyl-N-[2-oxo-2-(3-pyridazin-3-yloxypiperidin-1-yl)ethyl]methanesulfonamide
CID 91627690
1-[4-[(3R)-3-pyridazin-3-yloxypiperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 100638372
2-(benzimidazol-1-yl)-1-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]ethanone
CID 100637947
2-(3-methylphenyl)-1-[(3R)-3-pyrazin-2-yloxypiperidin-1-yl]ethanone
CID 100645265
1-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 121017510
(3S)-N-[(4-fluorophenyl)methyl]-3-pyridazin-3-yloxypiperidine-1-carboxamide
CID 100640493

Frequently Asked Questions

What is the IUPAC name of 1-(3-pyridazin-3-yloxypiperidin-1-yl)-2-pyridin-3-ylethanone?
The IUPAC name of 1-(3-pyridazin-3-yloxypiperidin-1-yl)-2-pyridin-3-ylethanone (CID 91627703) is 1-(3-pyridazin-3-yloxypiperidin-1-yl)-2-pyridin-3-ylethanone.
What is the SMILES notation for 1-(3-pyridazin-3-yloxypiperidin-1-yl)-2-pyridin-3-ylethanone?
The canonical SMILES for 1-(3-pyridazin-3-yloxypiperidin-1-yl)-2-pyridin-3-ylethanone is O=C(Cc1cccnc1)N1CCCC(Oc2cccnn2)C1.
What is the InChIKey of 1-(3-pyridazin-3-yloxypiperidin-1-yl)-2-pyridin-3-ylethanone?
The InChIKey is FYOANLXXXWFXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c21-16(10-13-4-1-7-17-11-13)20-9-3-5-14(12-20)22-15-6-2-8-18-19-15/h1-2,4,6-8,11,14H,3,5,9-10,12H2.
What are the key properties of 1-(3-pyridazin-3-yloxypiperidin-1-yl)-2-pyridin-3-ylethanone?
1-(3-pyridazin-3-yloxypiperidin-1-yl)-2-pyridin-3-ylethanone has a molecular weight of 298.35 g/mol, XLogP of 1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-pyridazin-3-yloxypiperidin-1-yl)-2-pyridin-3-ylethanone is sourced from PubChem (CID 91627703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).