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

C14H21F3N4O2 — CID 90542140

IUPACN-tert-butyl-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide
SMILESCC(C)(C)NC(=O)CN1CCC(c2nnc(C(F)(F)F)o2)CC1
InChIInChI=1S/C14H21F3N4O2/c1-13(2,3)18-10(22)8-21-6-4-9(5-7-21)11-19-20-12(23-11)14(15,16)17/h9H,4-8H2,1-3H3,(H,18,22)
InChIKeyIANKMBYOINUXPS-UHFFFAOYSA-N
MW334.34 g/mol
LogP2.18
Rot. Bonds3

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

N-tert-butyl-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide (PubChem CID 90542140) has the molecular formula C14H21F3N4O2 and a molecular weight of 334.34 g/mol. Its IUPAC name is N-tert-butyl-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide
PubChem CID90542140
Molecular FormulaC14H21F3N4O2
Molecular Weight334.34 g/mol
Exact Mass334.16
IUPAC NameN-tert-butyl-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide
SMILESCC(C)(C)NC(=O)CN1CCC(c2nnc(C(F)(F)F)o2)CC1
InChIInChI=1S/C14H21F3N4O2/c1-13(2,3)18-10(22)8-21-6-4-9(5-7-21)11-19-20-12(23-11)14(15,16)17/h9H,4-8H2,1-3H3,(H,18,22)
InChIKeyIANKMBYOINUXPS-UHFFFAOYSA-N
XLogP2.18
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide?
The IUPAC name of N-tert-butyl-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide (CID 90542140) is N-tert-butyl-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide?
The canonical SMILES for N-tert-butyl-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide is CC(C)(C)NC(=O)CN1CCC(c2nnc(C(F)(F)F)o2)CC1.
What is the InChIKey of N-tert-butyl-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide?
The InChIKey is IANKMBYOINUXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N4O2/c1-13(2,3)18-10(22)8-21-6-4-9(5-7-21)11-19-20-12(23-11)14(15,16)17/h9H,4-8H2,1-3H3,(H,18,22).
What are the key properties of N-tert-butyl-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide?
N-tert-butyl-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide has a molecular weight of 334.34 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide is sourced from PubChem (CID 90542140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).