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

C13H19F3N4O3 — CID 90542142

IUPACN-(2-methoxyethyl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide
SMILESCOCCNC(=O)CN1CCC(c2nnc(C(F)(F)F)o2)CC1
InChIInChI=1S/C13H19F3N4O3/c1-22-7-4-17-10(21)8-20-5-2-9(3-6-20)11-18-19-12(23-11)13(14,15)16/h9H,2-8H2,1H3,(H,17,21)
InChIKeyGENIQCARGLYSBP-UHFFFAOYSA-N
MW336.31 g/mol
LogP1.03
Rot. Bonds6

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

N-(2-methoxyethyl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide (PubChem CID 90542142) has the molecular formula C13H19F3N4O3 and a molecular weight of 336.31 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide
PubChem CID90542142
Molecular FormulaC13H19F3N4O3
Molecular Weight336.31 g/mol
Exact Mass336.14
IUPAC NameN-(2-methoxyethyl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide
SMILESCOCCNC(=O)CN1CCC(c2nnc(C(F)(F)F)o2)CC1
InChIInChI=1S/C13H19F3N4O3/c1-22-7-4-17-10(21)8-20-5-2-9(3-6-20)11-18-19-12(23-11)13(14,15)16/h9H,2-8H2,1H3,(H,17,21)
InChIKeyGENIQCARGLYSBP-UHFFFAOYSA-N
XLogP1.03
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.31
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide (CID 90542142) is N-(2-methoxyethyl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide is COCCNC(=O)CN1CCC(c2nnc(C(F)(F)F)o2)CC1.
What is the InChIKey of N-(2-methoxyethyl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide?
The InChIKey is GENIQCARGLYSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O3/c1-22-7-4-17-10(21)8-20-5-2-9(3-6-20)11-18-19-12(23-11)13(14,15)16/h9H,2-8H2,1H3,(H,17,21).
What are the key properties of N-(2-methoxyethyl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide?
N-(2-methoxyethyl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide has a molecular weight of 336.31 g/mol, XLogP of 1.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide is sourced from PubChem (CID 90542142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).