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

C17H17F3N2O2 — CID 173058853

IUPAC3-[2-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]-1H-pyridin-4-one
SMILESO=c1cc[nH]cc1N1CCCCC1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H17F3N2O2/c18-17(19,20)12-4-3-5-13(10-12)24-16-6-1-2-9-22(16)14-11-21-8-7-15(14)23/h3-5,7-8,10-11,16H,1-2,6,9H2,(H,21,23)
InChIKeyNGVZJIJGXZIWCX-UHFFFAOYSA-N
MW338.33 g/mol
LogP3.79
Rot. Bonds3

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

3-[2-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]-1H-pyridin-4-one (PubChem CID 173058853) has the molecular formula C17H17F3N2O2 and a molecular weight of 338.33 g/mol. Its IUPAC name is 3-[2-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]-1H-pyridin-4-one.

Molecular Properties

Compound Name3-[2-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]-1H-pyridin-4-one
PubChem CID173058853
Molecular FormulaC17H17F3N2O2
Molecular Weight338.33 g/mol
Exact Mass338.12
IUPAC Name3-[2-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]-1H-pyridin-4-one
SMILESO=c1cc[nH]cc1N1CCCCC1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H17F3N2O2/c18-17(19,20)12-4-3-5-13(10-12)24-16-6-1-2-9-22(16)14-11-21-8-7-15(14)23/h3-5,7-8,10-11,16H,1-2,6,9H2,(H,21,23)
InChIKeyNGVZJIJGXZIWCX-UHFFFAOYSA-N
XLogP3.79
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclobutyloxy-3-(trifluoromethyl)benzene
CID 124519367
3-[3-(trifluoromethyl)phenoxy]piperidin-2-one
CID 138484952
5-[4-[3-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 70750184
4-[2-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]cyclohexan-1-amine
CID 68903645
4-[3-(trifluoromethyl)phenoxy]oxane
CID 53217062
2-amino-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone
CID 66591548
2,2-dimethyl-3-[3-(trifluoromethyl)phenoxy]cyclobutan-1-one
CID 66367223
(2R)-2-hydroxy-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]propan-1-one
CID 70722941
2-amino-2-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]acetaldehyde;hydrochloride
CID 87187234
tert-butyl (2R)-2-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidine-1-carboxylate
CID 86327071
2,2,2-trifluoroacetic acid;3-[3-(trifluoromethyl)phenoxy]azetidine
CID 130472690
4-[3-(trifluoromethyl)phenoxy]pyrrolidin-3-ol
CID 13320255

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]-1H-pyridin-4-one?
The IUPAC name of 3-[2-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]-1H-pyridin-4-one (CID 173058853) is 3-[2-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]-1H-pyridin-4-one.
What is the SMILES notation for 3-[2-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]-1H-pyridin-4-one?
The canonical SMILES for 3-[2-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]-1H-pyridin-4-one is O=c1cc[nH]cc1N1CCCCC1Oc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-[2-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]-1H-pyridin-4-one?
The InChIKey is NGVZJIJGXZIWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O2/c18-17(19,20)12-4-3-5-13(10-12)24-16-6-1-2-9-22(16)14-11-21-8-7-15(14)23/h3-5,7-8,10-11,16H,1-2,6,9H2,(H,21,23).
What are the key properties of 3-[2-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]-1H-pyridin-4-one?
3-[2-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]-1H-pyridin-4-one has a molecular weight of 338.33 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]-1H-pyridin-4-one is sourced from PubChem (CID 173058853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).