1-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one

C11H14F3N3O2 — CID 71793037

IUPAC1-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCC(c2nnc(C(F)(F)F)o2)C1
InChIInChI=1S/C11H14F3N3O2/c1-2-8(18)17-5-3-4-7(6-17)9-15-16-10(19-9)11(12,13)14/h7H,2-6H2,1H3
InChIKeyXTTZNJZCEAHNHI-UHFFFAOYSA-N
MW277.25 g/mol
LogP2.20
Rot. Bonds2

About 1-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one

1-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one (PubChem CID 71793037) has the molecular formula C11H14F3N3O2 and a molecular weight of 277.25 g/mol. Its IUPAC name is 1-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one
PubChem CID71793037
Molecular FormulaC11H14F3N3O2
Molecular Weight277.25 g/mol
Exact Mass277.10
IUPAC Name1-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCC(c2nnc(C(F)(F)F)o2)C1
InChIInChI=1S/C11H14F3N3O2/c1-2-8(18)17-5-3-4-7(6-17)9-15-16-10(19-9)11(12,13)14/h7H,2-6H2,1H3
InChIKeyXTTZNJZCEAHNHI-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one
CID 97104476
2-(3-methylphenoxy)-1-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone
CID 90540157
(4-methylthiadiazol-5-yl)-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 90540207
(1-methylsulfonylpiperidin-4-yl)-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 90540208
N-(3,5-dimethylphenyl)-3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide
CID 90540294
5-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 90540044
(2,6-difluorophenyl)-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 90540125
(4-methoxyphenyl)-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 90540104
N-(4-tert-butylphenyl)-3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide
CID 90540275
1-[(3S)-3-[5-[(3S)-piperidin-3-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one
CID 124956744
2-methyl-6-[(3S)-3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]pyridazin-3-one
CID 95985593
2-phenoxy-1-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one
CID 71793046

Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one (CID 71793037) is 1-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one is CCC(=O)N1CCCC(c2nnc(C(F)(F)F)o2)C1.
What is the InChIKey of 1-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one?
The InChIKey is XTTZNJZCEAHNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2/c1-2-8(18)17-5-3-4-7(6-17)9-15-16-10(19-9)11(12,13)14/h7H,2-6H2,1H3.
What are the key properties of 1-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one?
1-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one has a molecular weight of 277.25 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 71793037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).