1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone

C18H20F3N3O2 — CID 91797759

IUPAC1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
SMILESCc1nc(CC2CCN(C(=O)Cc3ccc(C(F)(F)F)cc3)CC2)no1
InChIInChI=1S/C18H20F3N3O2/c1-12-22-16(23-26-12)10-14-6-8-24(9-7-14)17(25)11-13-2-4-15(5-3-13)18(19,20)21/h2-5,14H,6-11H2,1H3
InChIKeyMCXINHYBRNRUIP-UHFFFAOYSA-N
MW367.37 g/mol
LogP3.42
Rot. Bonds4

About 1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone

1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone (PubChem CID 91797759) has the molecular formula C18H20F3N3O2 and a molecular weight of 367.37 g/mol. Its IUPAC name is 1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
PubChem CID91797759
Molecular FormulaC18H20F3N3O2
Molecular Weight367.37 g/mol
Exact Mass367.15
IUPAC Name1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
SMILESCc1nc(CC2CCN(C(=O)Cc3ccc(C(F)(F)F)cc3)CC2)no1
InChIInChI=1S/C18H20F3N3O2/c1-12-22-16(23-26-12)10-14-6-8-24(9-7-14)17(25)11-13-2-4-15(5-3-13)18(19,20)21/h2-5,14H,6-11H2,1H3
InChIKeyMCXINHYBRNRUIP-UHFFFAOYSA-N
XLogP3.42
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone with MolForge

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Related Compounds

2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone
CID 110628442
1-[4-[(3,4-dimethoxyphenyl)methyl]piperidin-1-yl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone
CID 110628515
1-[(4R)-4-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]azepan-1-yl]-2-(4-methylphenyl)ethanone
CID 129343921
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone;hydrochloride
CID 119646509
[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone
CID 72858587
2-(4-methoxyphenyl)-1-[4-[[5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]ethanone
CID 42879730
1-[3-(2-bromoethyl)pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 114801487
2-(2-ethylimidazol-1-yl)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]ethanone
CID 91834957
2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carbonyl]benzonitrile
CID 91767952
1-[4-(2-aminoethyl)piperidin-1-yl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone
CID 166241022
(4S)-1-[2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-oxoethyl]-4-phenylpyrrolidin-2-one
CID 97271353
(2R)-2-(2,4-difluorophenoxy)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]propan-1-one
CID 124753479

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone (CID 91797759) is 1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone is Cc1nc(CC2CCN(C(=O)Cc3ccc(C(F)(F)F)cc3)CC2)no1.
What is the InChIKey of 1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone?
The InChIKey is MCXINHYBRNRUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O2/c1-12-22-16(23-26-12)10-14-6-8-24(9-7-14)17(25)11-13-2-4-15(5-3-13)18(19,20)21/h2-5,14H,6-11H2,1H3.
What are the key properties of 1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone?
1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone has a molecular weight of 367.37 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 91797759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).