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

C14H13F3N4O2 — CID 129188276

IUPAC1-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]piperidin-2-one
SMILESO=C1CCCCN1Cc1ccc(-c2noc(C(F)(F)F)n2)cn1
InChIInChI=1S/C14H13F3N4O2/c15-14(16,17)13-19-12(20-23-13)9-4-5-10(18-7-9)8-21-6-2-1-3-11(21)22/h4-5,7H,1-3,6,8H2
InChIKeyUPJXHJXSPIOSPO-UHFFFAOYSA-N
MW326.28 g/mol
LogP2.66
Rot. Bonds3

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

1-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]piperidin-2-one (PubChem CID 129188276) has the molecular formula C14H13F3N4O2 and a molecular weight of 326.28 g/mol. Its IUPAC name is 1-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]piperidin-2-one.

Molecular Properties

Compound Name1-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]piperidin-2-one
PubChem CID129188276
Molecular FormulaC14H13F3N4O2
Molecular Weight326.28 g/mol
Exact Mass326.10
IUPAC Name1-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]piperidin-2-one
SMILESO=C1CCCCN1Cc1ccc(-c2noc(C(F)(F)F)n2)cn1
InChIInChI=1S/C14H13F3N4O2/c15-14(16,17)13-19-12(20-23-13)9-4-5-10(18-7-9)8-21-6-2-1-3-11(21)22/h4-5,7H,1-3,6,8H2
InChIKeyUPJXHJXSPIOSPO-UHFFFAOYSA-N
XLogP2.66
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-[2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]piperidin-2-one
CID 155193010
1-[[5-[3-(fluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one
CID 150865528
3-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methylamino]cyclobut-3-ene-1,2-dione
CID 155192078
4-methyl-1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidin-2-one
CID 137358408
2-cyclopropyl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]acetamide
CID 137366430
3-(1,3-oxazol-4-ylmethylamino)-4-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methylamino]cyclobut-3-ene-1,2-dione
CID 155191914
3-[6-[[4-(4-chlorophenyl)triazol-1-yl]methyl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 139546541
1-[[3-[4-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]methyl]azepan-2-one
CID 142112852
N,N-dimethyl-3-oxo-4-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperazine-1-carboxamide
CID 129188265
N-methoxy-2-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]acetamide
CID 158004258
pyrrolidin-1-yl-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone
CID 71230722
1-(4-fluorophenyl)-3-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]urea
CID 151255198

Frequently Asked Questions

What is the IUPAC name of 1-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]piperidin-2-one?
The IUPAC name of 1-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]piperidin-2-one (CID 129188276) is 1-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]piperidin-2-one.
What is the SMILES notation for 1-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]piperidin-2-one?
The canonical SMILES for 1-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]piperidin-2-one is O=C1CCCCN1Cc1ccc(-c2noc(C(F)(F)F)n2)cn1.
What is the InChIKey of 1-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]piperidin-2-one?
The InChIKey is UPJXHJXSPIOSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N4O2/c15-14(16,17)13-19-12(20-23-13)9-4-5-10(18-7-9)8-21-6-2-1-3-11(21)22/h4-5,7H,1-3,6,8H2.
What are the key properties of 1-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]piperidin-2-one?
1-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]piperidin-2-one has a molecular weight of 326.28 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]piperidin-2-one is sourced from PubChem (CID 129188276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).