N-ethyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide

C11H15F3N4O2 — CID 90540027

IUPACN-ethyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide
SMILESCCNC(=O)N1CCC(c2nnc(C(F)(F)F)o2)CC1
InChIInChI=1S/C11H15F3N4O2/c1-2-15-10(19)18-5-3-7(4-6-18)8-16-17-9(20-8)11(12,13)14/h7H,2-6H2,1H3,(H,15,19)
InChIKeyOUNCCCAQIZFGGI-UHFFFAOYSA-N
MW292.26 g/mol
LogP2.00
Rot. Bonds2

About N-ethyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide

N-ethyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide (PubChem CID 90540027) has the molecular formula C11H15F3N4O2 and a molecular weight of 292.26 g/mol. Its IUPAC name is N-ethyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide
PubChem CID90540027
Molecular FormulaC11H15F3N4O2
Molecular Weight292.26 g/mol
Exact Mass292.11
IUPAC NameN-ethyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide
SMILESCCNC(=O)N1CCC(c2nnc(C(F)(F)F)o2)CC1
InChIInChI=1S/C11H15F3N4O2/c1-2-15-10(19)18-5-3-7(4-6-18)8-16-17-9(20-8)11(12,13)14/h7H,2-6H2,1H3,(H,15,19)
InChIKeyOUNCCCAQIZFGGI-UHFFFAOYSA-N
XLogP2.00
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide?
The IUPAC name of N-ethyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide (CID 90540027) is N-ethyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-ethyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide?
The canonical SMILES for N-ethyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide is CCNC(=O)N1CCC(c2nnc(C(F)(F)F)o2)CC1.
What is the InChIKey of N-ethyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide?
The InChIKey is OUNCCCAQIZFGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O2/c1-2-15-10(19)18-5-3-7(4-6-18)8-16-17-9(20-8)11(12,13)14/h7H,2-6H2,1H3,(H,15,19).
What are the key properties of N-ethyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide?
N-ethyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide has a molecular weight of 292.26 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 90540027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).