2-pyridin-3-yl-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone

C19H19F3N2O2 — CID 70736464

IUPAC2-pyridin-3-yl-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone
SMILESO=C(Cc1cccnc1)N1CCC(Oc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C19H19F3N2O2/c20-19(21,22)15-4-1-5-17(12-15)26-16-6-9-24(10-7-16)18(25)11-14-3-2-8-23-13-14/h1-5,8,12-13,16H,6-7,9-11H2
InChIKeyQVDBNOPBXMOADR-UHFFFAOYSA-N
MW364.37 g/mol
LogP3.71
Rot. Bonds4

About 2-pyridin-3-yl-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone

2-pyridin-3-yl-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone (PubChem CID 70736464) has the molecular formula C19H19F3N2O2 and a molecular weight of 364.37 g/mol. Its IUPAC name is 2-pyridin-3-yl-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-pyridin-3-yl-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone
PubChem CID70736464
Molecular FormulaC19H19F3N2O2
Molecular Weight364.37 g/mol
Exact Mass364.14
IUPAC Name2-pyridin-3-yl-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone
SMILESO=C(Cc1cccnc1)N1CCC(Oc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C19H19F3N2O2/c20-19(21,22)15-4-1-5-17(12-15)26-16-6-9-24(10-7-16)18(25)11-14-3-2-8-23-13-14/h1-5,8,12-13,16H,6-7,9-11H2
InChIKeyQVDBNOPBXMOADR-UHFFFAOYSA-N
XLogP3.71
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone
CID 66591548
1-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 121186102
1-(3-pyridin-4-yloxyazetidin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 155800940
1-[4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-2-[3-(trifluoromethyl)phenoxy]ethanone
CID 121017876
1-(4-phenylmethoxypiperidin-1-yl)-2-pyridin-3-ylethanone
CID 70721630
1-(4-pyrimidin-4-yloxypiperidin-1-yl)-2-[3-(trifluoromethyl)phenoxy]ethanone
CID 121162129
(2R)-2-hydroxy-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]propan-1-one
CID 70722941
2-morpholin-2-yl-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone
CID 70714144
1-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 100753789
1-(4-methylpiperidin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 78768057
(3S)-4-methyl-3-[2-oxo-2-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]piperazin-2-one
CID 26325608
N-[[4-[1-(2-pyridin-3-ylacetyl)pyrrolidin-3-yl]oxy-2-pyridinyl]methyl]acetamide
CID 154803198

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone?
The IUPAC name of 2-pyridin-3-yl-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone (CID 70736464) is 2-pyridin-3-yl-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-pyridin-3-yl-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone?
The canonical SMILES for 2-pyridin-3-yl-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone is O=C(Cc1cccnc1)N1CCC(Oc2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 2-pyridin-3-yl-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone?
The InChIKey is QVDBNOPBXMOADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O2/c20-19(21,22)15-4-1-5-17(12-15)26-16-6-9-24(10-7-16)18(25)11-14-3-2-8-23-13-14/h1-5,8,12-13,16H,6-7,9-11H2.
What are the key properties of 2-pyridin-3-yl-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone?
2-pyridin-3-yl-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone has a molecular weight of 364.37 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone is sourced from PubChem (CID 70736464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).