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

C17H16F6N4O2 — CID 71793501

IUPAC2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1CCC(c2nnc(C(F)(F)F)o2)CC1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C17H16F6N4O2/c18-16(19,20)11-3-1-2-4-12(11)24-13(28)9-27-7-5-10(6-8-27)14-25-26-15(29-14)17(21,22)23/h1-4,10H,5-9H2,(H,24,28)
InChIKeyIEAWKYGEBFCUCL-UHFFFAOYSA-N
MW422.33 g/mol
LogP3.93
Rot. Bonds4

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

2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 71793501) has the molecular formula C17H16F6N4O2 and a molecular weight of 422.33 g/mol. Its IUPAC name is 2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID71793501
Molecular FormulaC17H16F6N4O2
Molecular Weight422.33 g/mol
Exact Mass422.12
IUPAC Name2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1CCC(c2nnc(C(F)(F)F)o2)CC1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C17H16F6N4O2/c18-16(19,20)11-3-1-2-4-12(11)24-13(28)9-27-7-5-10(6-8-27)14-25-26-15(29-14)17(21,22)23/h1-4,10H,5-9H2,(H,24,28)
InChIKeyIEAWKYGEBFCUCL-UHFFFAOYSA-N
XLogP3.93
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.33
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 71793501) is 2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide is O=C(CN1CCC(c2nnc(C(F)(F)F)o2)CC1)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is IEAWKYGEBFCUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F6N4O2/c18-16(19,20)11-3-1-2-4-12(11)24-13(28)9-27-7-5-10(6-8-27)14-25-26-15(29-14)17(21,22)23/h1-4,10H,5-9H2,(H,24,28).
What are the key properties of 2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 422.33 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 71793501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).