cyclopropyl-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone

C12H14F3N3O2 — CID 71792951

IUPACcyclopropyl-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCC(c2nnc(C(F)(F)F)o2)CC1
InChIInChI=1S/C12H14F3N3O2/c13-12(14,15)11-17-16-9(20-11)7-3-5-18(6-4-7)10(19)8-1-2-8/h7-8H,1-6H2
InChIKeyWOWKQUXPMGXKKO-UHFFFAOYSA-N
MW289.26 g/mol
LogP2.20
Rot. Bonds2

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

cyclopropyl-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone (PubChem CID 71792951) has the molecular formula C12H14F3N3O2 and a molecular weight of 289.26 g/mol. Its IUPAC name is cyclopropyl-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
PubChem CID71792951
Molecular FormulaC12H14F3N3O2
Molecular Weight289.26 g/mol
Exact Mass289.10
IUPAC Namecyclopropyl-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCC(c2nnc(C(F)(F)F)o2)CC1
InChIInChI=1S/C12H14F3N3O2/c13-12(14,15)11-17-16-9(20-11)7-3-5-18(6-4-7)10(19)8-1-2-8/h7-8H,1-6H2
InChIKeyWOWKQUXPMGXKKO-UHFFFAOYSA-N
XLogP2.20
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone (CID 71792951) is cyclopropyl-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone is O=C(C1CC1)N1CCC(c2nnc(C(F)(F)F)o2)CC1.
What is the InChIKey of cyclopropyl-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is WOWKQUXPMGXKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O2/c13-12(14,15)11-17-16-9(20-11)7-3-5-18(6-4-7)10(19)8-1-2-8/h7-8H,1-6H2.
What are the key properties of cyclopropyl-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
cyclopropyl-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 289.26 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 cyclopropyl-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 71792951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).