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

C11H15F3N4O2 — CID 172880714

IUPACN-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(Cc2nnc(C(F)(F)F)o2)C1
InChIInChI=1S/C11H15F3N4O2/c1-7(19)15-8-3-2-4-18(5-8)6-9-16-17-10(20-9)11(12,13)14/h8H,2-6H2,1H3,(H,15,19)
InChIKeyPMWQPLYYHIZLJE-UHFFFAOYSA-N
MW292.26 g/mol
LogP1.19
Rot. Bonds3

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

N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]acetamide (PubChem CID 172880714) has the molecular formula C11H15F3N4O2 and a molecular weight of 292.26 g/mol. Its IUPAC name is N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]acetamide
PubChem CID172880714
Molecular FormulaC11H15F3N4O2
Molecular Weight292.26 g/mol
Exact Mass292.11
IUPAC NameN-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(Cc2nnc(C(F)(F)F)o2)C1
InChIInChI=1S/C11H15F3N4O2/c1-7(19)15-8-3-2-4-18(5-8)6-9-16-17-10(20-9)11(12,13)14/h8H,2-6H2,1H3,(H,15,19)
InChIKeyPMWQPLYYHIZLJE-UHFFFAOYSA-N
XLogP1.19
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]acetamide?
The IUPAC name of N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]acetamide (CID 172880714) is N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]acetamide.
What is the SMILES notation for N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]acetamide?
The canonical SMILES for N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]acetamide is CC(=O)NC1CCCN(Cc2nnc(C(F)(F)F)o2)C1.
What is the InChIKey of N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]acetamide?
The InChIKey is PMWQPLYYHIZLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O2/c1-7(19)15-8-3-2-4-18(5-8)6-9-16-17-10(20-9)11(12,13)14/h8H,2-6H2,1H3,(H,15,19).
What are the key properties of N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]acetamide?
N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]acetamide has a molecular weight of 292.26 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 172880714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).