1-[(2S)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone

C11H14F3N3O2 — CID 100657882

IUPAC1-[(2S)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC[C@H]1c1nnc(CC(F)(F)F)o1
InChIInChI=1S/C11H14F3N3O2/c1-7(18)17-5-3-2-4-8(17)10-16-15-9(19-10)6-11(12,13)14/h8H,2-6H2,1H3/t8-/m0/s1
InChIKeyLKFOMJZJEHPXSF-QMMMGPOBSA-N
MW277.25 g/mol
LogP2.25
Rot. Bonds2

About 1-[(2S)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone

1-[(2S)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone (PubChem CID 100657882) has the molecular formula C11H14F3N3O2 and a molecular weight of 277.25 g/mol. Its IUPAC name is 1-[(2S)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone
PubChem CID100657882
Molecular FormulaC11H14F3N3O2
Molecular Weight277.25 g/mol
Exact Mass277.10
IUPAC Name1-[(2S)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC[C@H]1c1nnc(CC(F)(F)F)o1
InChIInChI=1S/C11H14F3N3O2/c1-7(18)17-5-3-2-4-8(17)10-16-15-9(19-10)6-11(12,13)14/h8H,2-6H2,1H3/t8-/m0/s1
InChIKeyLKFOMJZJEHPXSF-QMMMGPOBSA-N
XLogP2.25
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(2S)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

thiadiazol-4-yl-[(2R)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 129345359
1-[2-[(2S)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethyl]pyrrolidin-2-one
CID 129350670
2-[1-(pyrimidin-2-ylmethyl)piperidin-2-yl]-5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazole
CID 128991937
tert-butyl (2S)-2-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylate
CID 166545118
6-[5-(1-acetylpiperidin-2-yl)-1,3,4-oxadiazol-2-yl]-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 155884269
1-[(2S)-2-(5-methyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]ethanone
CID 118359439
2,2-difluoro-1-[2-(5-piperidin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone
CID 175662572
1-[2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 73439316
1-[(2S,3S)-3-[5-(furan-3-ylmethyl)-1,3,4-oxadiazol-2-yl]-2-methylpiperidin-1-yl]ethanone
CID 154762094
cyclopropyl-[(2S)-2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone
CID 9188056
1-[(2S,3S)-2-methyl-3-[5-[(4-methylcyclohexyl)oxymethyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone
CID 167934848
1-[4-[5-[(2R)-1-(3-cyclopentylpropanoyl)piperidin-2-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 95805382

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[(2S)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone (CID 100657882) is 1-[(2S)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2S)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[(2S)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone is CC(=O)N1CCCC[C@H]1c1nnc(CC(F)(F)F)o1.
What is the InChIKey of 1-[(2S)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone?
The InChIKey is LKFOMJZJEHPXSF-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H14F3N3O2/c1-7(18)17-5-3-2-4-8(17)10-16-15-9(19-10)6-11(12,13)14/h8H,2-6H2,1H3/t8-/m0/s1.
What are the key properties of 1-[(2S)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone?
1-[(2S)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone has a molecular weight of 277.25 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 100657882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).