3-phenyl-1-[(3S)-3-pyridazin-3-yloxypiperidin-1-yl]propan-1-one

C18H21N3O2 — CID 100638751

IUPAC3-phenyl-1-[(3S)-3-pyridazin-3-yloxypiperidin-1-yl]propan-1-one
SMILESO=C(CCc1ccccc1)N1CCC[C@H](Oc2cccnn2)C1
InChIInChI=1S/C18H21N3O2/c22-18(11-10-15-6-2-1-3-7-15)21-13-5-8-16(14-21)23-17-9-4-12-19-20-17/h1-4,6-7,9,12,16H,5,8,10-11,13-14H2/t16-/m0/s1
InChIKeyCCKIUVKIXUZLFJ-INIZCTEOSA-N
MW311.38 g/mol
LogP2.48
Rot. Bonds5

About 3-phenyl-1-[(3S)-3-pyridazin-3-yloxypiperidin-1-yl]propan-1-one

3-phenyl-1-[(3S)-3-pyridazin-3-yloxypiperidin-1-yl]propan-1-one (PubChem CID 100638751) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 3-phenyl-1-[(3S)-3-pyridazin-3-yloxypiperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-phenyl-1-[(3S)-3-pyridazin-3-yloxypiperidin-1-yl]propan-1-one
PubChem CID100638751
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name3-phenyl-1-[(3S)-3-pyridazin-3-yloxypiperidin-1-yl]propan-1-one
SMILESO=C(CCc1ccccc1)N1CCC[C@H](Oc2cccnn2)C1
InChIInChI=1S/C18H21N3O2/c22-18(11-10-15-6-2-1-3-7-15)21-13-5-8-16(14-21)23-17-9-4-12-19-20-17/h1-4,6-7,9,12,16H,5,8,10-11,13-14H2/t16-/m0/s1
InChIKeyCCKIUVKIXUZLFJ-INIZCTEOSA-N
XLogP2.48
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-Fluorophenyl)(4-(pyridazin-3-yloxy)piperidin-1-yl)methanone
CID 71799348
(4-(pyridazin-3-yloxy)piperidin-1-yl)(9H-xanthen-9-yl)methanone
CID 71799366
(4-(Pyridazin-3-yloxy)piperidin-1-yl)(4-(trifluoromethoxy)phenyl)methanone
CID 71799384
2-(2-Fluorophenoxy)-1-(3-(pyridazin-3-yloxy)piperidin-1-yl)ethanone
CID 91627666
Cyclohex-3-en-1-yl(3-((6-methylpyridazin-3-yl)oxy)piperidin-1-yl)methanone
CID 91627779
2-(2,4-difluorophenyl)-1-[(S)-3-(6-methyl-3-pyridazinyloxy)-1-pyrrolidinyl]-1-ethanone
CID 100628544
m-{[(S)-3-(3-pyridazinyloxy)-1-piperidyl]carbonyl}benzonitrile
CID 100639377
N-(p-fluorophenyl)methyl-(S)-3-(3-pyridazinyloxy)-1-piperidinecarboxamide
CID 100640493
2-(5,6-dimethylpyridazin-3-yl)oxy-1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 129375304
1-Phenyl-4-(4-(pyridazin-3-yloxy)piperidin-1-yl)butane-1,4-dione
CID 71799324
(2-Benzoylphenyl)(4-(pyridazin-3-yloxy)piperidin-1-yl)methanone
CID 71799337
Methyl 4-[4-(pyridazin-3-yloxy)piperidine-1-carbonyl]benzoate
CID 71799339

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-[(3S)-3-pyridazin-3-yloxypiperidin-1-yl]propan-1-one?
The IUPAC name of 3-phenyl-1-[(3S)-3-pyridazin-3-yloxypiperidin-1-yl]propan-1-one (CID 100638751) is 3-phenyl-1-[(3S)-3-pyridazin-3-yloxypiperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-phenyl-1-[(3S)-3-pyridazin-3-yloxypiperidin-1-yl]propan-1-one?
The canonical SMILES for 3-phenyl-1-[(3S)-3-pyridazin-3-yloxypiperidin-1-yl]propan-1-one is O=C(CCc1ccccc1)N1CCC[C@H](Oc2cccnn2)C1.
What is the InChIKey of 3-phenyl-1-[(3S)-3-pyridazin-3-yloxypiperidin-1-yl]propan-1-one?
The InChIKey is CCKIUVKIXUZLFJ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H21N3O2/c22-18(11-10-15-6-2-1-3-7-15)21-13-5-8-16(14-21)23-17-9-4-12-19-20-17/h1-4,6-7,9,12,16H,5,8,10-11,13-14H2/t16-/m0/s1.
What are the key properties of 3-phenyl-1-[(3S)-3-pyridazin-3-yloxypiperidin-1-yl]propan-1-one?
3-phenyl-1-[(3S)-3-pyridazin-3-yloxypiperidin-1-yl]propan-1-one has a molecular weight of 311.38 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-[(3S)-3-pyridazin-3-yloxypiperidin-1-yl]propan-1-one is sourced from PubChem (CID 100638751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).