pyridazin-3-yl-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone

C19H20F3N3O — CID 56869109

IUPACpyridazin-3-yl-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
SMILESO=C(c1cccnn1)N1CCCC(CCc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C19H20F3N3O/c20-19(21,22)16-7-2-1-6-15(16)10-9-14-5-4-12-25(13-14)18(26)17-8-3-11-23-24-17/h1-3,6-8,11,14H,4-5,9-10,12-13H2
InChIKeyLDARROLMUVNCHO-UHFFFAOYSA-N
MW363.38 g/mol
LogP3.98
Rot. Bonds4

About pyridazin-3-yl-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone

pyridazin-3-yl-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone (PubChem CID 56869109) has the molecular formula C19H20F3N3O and a molecular weight of 363.38 g/mol. Its IUPAC name is pyridazin-3-yl-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namepyridazin-3-yl-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
PubChem CID56869109
Molecular FormulaC19H20F3N3O
Molecular Weight363.38 g/mol
Exact Mass363.16
IUPAC Namepyridazin-3-yl-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
SMILESO=C(c1cccnn1)N1CCCC(CCc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C19H20F3N3O/c20-19(21,22)16-7-2-1-6-15(16)10-9-14-5-4-12-25(13-14)18(26)17-8-3-11-23-24-17/h1-3,6-8,11,14H,4-5,9-10,12-13H2
InChIKeyLDARROLMUVNCHO-UHFFFAOYSA-N
XLogP3.98
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyridazin-3-yl-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone?
The IUPAC name of pyridazin-3-yl-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone (CID 56869109) is pyridazin-3-yl-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone.
What is the SMILES notation for pyridazin-3-yl-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone?
The canonical SMILES for pyridazin-3-yl-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone is O=C(c1cccnn1)N1CCCC(CCc2ccccc2C(F)(F)F)C1.
What is the InChIKey of pyridazin-3-yl-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone?
The InChIKey is LDARROLMUVNCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O/c20-19(21,22)16-7-2-1-6-15(16)10-9-14-5-4-12-25(13-14)18(26)17-8-3-11-23-24-17/h1-3,6-8,11,14H,4-5,9-10,12-13H2.
What are the key properties of pyridazin-3-yl-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone?
pyridazin-3-yl-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone has a molecular weight of 363.38 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridazin-3-yl-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 56869109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).