(4-pyridazin-3-yloxypiperidin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone

C17H16F3N3O3 — CID 71799384

IUPAC(4-pyridazin-3-yloxypiperidin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone
SMILESO=C(c1ccc(OC(F)(F)F)cc1)N1CCC(Oc2cccnn2)CC1
InChIInChI=1S/C17H16F3N3O3/c18-17(19,20)26-14-5-3-12(4-6-14)16(24)23-10-7-13(8-11-23)25-15-2-1-9-21-22-15/h1-6,9,13H,7-8,10-11H2
InChIKeyHXTHNTSMOFHFRJ-UHFFFAOYSA-N
MW367.33 g/mol
LogP3.06
Rot. Bonds4

About (4-pyridazin-3-yloxypiperidin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone

(4-pyridazin-3-yloxypiperidin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone (PubChem CID 71799384) has the molecular formula C17H16F3N3O3 and a molecular weight of 367.33 g/mol. Its IUPAC name is (4-pyridazin-3-yloxypiperidin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Name(4-pyridazin-3-yloxypiperidin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone
PubChem CID71799384
Molecular FormulaC17H16F3N3O3
Molecular Weight367.33 g/mol
Exact Mass367.11
IUPAC Name(4-pyridazin-3-yloxypiperidin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone
SMILESO=C(c1ccc(OC(F)(F)F)cc1)N1CCC(Oc2cccnn2)CC1
InChIInChI=1S/C17H16F3N3O3/c18-17(19,20)26-14-5-3-12(4-6-14)16(24)23-10-7-13(8-11-23)25-15-2-1-9-21-22-15/h1-6,9,13H,7-8,10-11H2
InChIKeyHXTHNTSMOFHFRJ-UHFFFAOYSA-N
XLogP3.06
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.33
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[1-[(1-Methylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone
CID 24791256
1-[(1-ethyl-1H-pyrazol-4-yl)methyl]-4-[4-(1-piperidinylcarbonyl)phenoxy]piperidine
CID 24794176
1-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-[4-(1-piperidinylcarbonyl)phenoxy]piperidine
CID 24818988
2-((1-(4-(Trifluoromethoxy)benzoyl)piperidin-4-yl)oxy)nicotinonitrile
CID 71799043
(2-Fluorophenyl)(4-(pyridazin-3-yloxy)piperidin-1-yl)methanone
CID 71799348
(4-((6-Methylpyridazin-3-yl)oxy)piperidin-1-yl)(2-(trifluoromethyl)phenyl)methanone
CID 71799418
m-{[(S)-3-(3-pyridazinyloxy)-1-piperidyl]carbonyl}benzonitrile
CID 100639377
N,N-diethyl-4-[6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]oxybenzamide
CID 139236209
(4-((6-Methylpyridazin-3-yl)oxy)phenyl)(morpholino)methanone
CID 49669660
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 (4-pyridazin-3-yloxypiperidin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone?
The IUPAC name of (4-pyridazin-3-yloxypiperidin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone (CID 71799384) is (4-pyridazin-3-yloxypiperidin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone.
What is the SMILES notation for (4-pyridazin-3-yloxypiperidin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone?
The canonical SMILES for (4-pyridazin-3-yloxypiperidin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone is O=C(c1ccc(OC(F)(F)F)cc1)N1CCC(Oc2cccnn2)CC1.
What is the InChIKey of (4-pyridazin-3-yloxypiperidin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone?
The InChIKey is HXTHNTSMOFHFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O3/c18-17(19,20)26-14-5-3-12(4-6-14)16(24)23-10-7-13(8-11-23)25-15-2-1-9-21-22-15/h1-6,9,13H,7-8,10-11H2.
What are the key properties of (4-pyridazin-3-yloxypiperidin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone?
(4-pyridazin-3-yloxypiperidin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone has a molecular weight of 367.33 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyridazin-3-yloxypiperidin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone is sourced from PubChem (CID 71799384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).