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

C17H18F3N3O3 — CID 142004042

IUPAC1-[4-[3-[[4-(trifluoromethoxy)phenyl]methyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2nc(Cc3ccc(OC(F)(F)F)cc3)no2)CC1
InChIInChI=1S/C17H18F3N3O3/c1-11(24)23-8-6-13(7-9-23)16-21-15(22-26-16)10-12-2-4-14(5-3-12)25-17(18,19)20/h2-5,13H,6-10H2,1H3
InChIKeyUDTFFOKMFBWGPP-UHFFFAOYSA-N
MW369.34 g/mol
LogP3.28
Rot. Bonds4

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

1-[4-[3-[[4-(trifluoromethoxy)phenyl]methyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone (PubChem CID 142004042) has the molecular formula C17H18F3N3O3 and a molecular weight of 369.34 g/mol. Its IUPAC name is 1-[4-[3-[[4-(trifluoromethoxy)phenyl]methyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-[[4-(trifluoromethoxy)phenyl]methyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
PubChem CID142004042
Molecular FormulaC17H18F3N3O3
Molecular Weight369.34 g/mol
Exact Mass369.13
IUPAC Name1-[4-[3-[[4-(trifluoromethoxy)phenyl]methyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2nc(Cc3ccc(OC(F)(F)F)cc3)no2)CC1
InChIInChI=1S/C17H18F3N3O3/c1-11(24)23-8-6-13(7-9-23)16-21-15(22-26-16)10-12-2-4-14(5-3-12)25-17(18,19)20/h2-5,13H,6-10H2,1H3
InChIKeyUDTFFOKMFBWGPP-UHFFFAOYSA-N
XLogP3.28
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.34
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl] 2,2-dimethylpropanoate
CID 174494901
[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 47061060
4-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 63349298
1-[(3R)-3-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 100688666
4-(3-methyl-1,2-oxazol-5-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-1-carboxamide
CID 166328375
morpholin-4-yl-[3-(3-propyl-1,2,4-oxadiazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone
CID 58002278
5-(1-pyridin-4-ylpyrrolidin-3-yl)-3-[[3-(trifluoromethoxy)phenyl]methyl]-1,2,4-oxadiazole
CID 167905993
1-[4-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]prop-2-en-1-one
CID 166406173
(2S)-1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(4-fluorophenoxy)propan-1-one
CID 51984852
(2R)-1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(4-fluorophenoxy)propan-1-one
CID 51984851
1-[4-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)-4-hydroxypyrrolidin-1-yl]piperidin-1-yl]ethanone
CID 74506963
furan-3-yl-[4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 136531197

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[[4-(trifluoromethoxy)phenyl]methyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[3-[[4-(trifluoromethoxy)phenyl]methyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone (CID 142004042) is 1-[4-[3-[[4-(trifluoromethoxy)phenyl]methyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[3-[[4-(trifluoromethoxy)phenyl]methyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[3-[[4-(trifluoromethoxy)phenyl]methyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(c2nc(Cc3ccc(OC(F)(F)F)cc3)no2)CC1.
What is the InChIKey of 1-[4-[3-[[4-(trifluoromethoxy)phenyl]methyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone?
The InChIKey is UDTFFOKMFBWGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O3/c1-11(24)23-8-6-13(7-9-23)16-21-15(22-26-16)10-12-2-4-14(5-3-12)25-17(18,19)20/h2-5,13H,6-10H2,1H3.
What are the key properties of 1-[4-[3-[[4-(trifluoromethoxy)phenyl]methyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone?
1-[4-[3-[[4-(trifluoromethoxy)phenyl]methyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone has a molecular weight of 369.34 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-[[4-(trifluoromethoxy)phenyl]methyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 142004042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).