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

C13H19F3N4O2 — CID 90540000

IUPACN-tert-butyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCC(c2nnc(C(F)(F)F)o2)CC1
InChIInChI=1S/C13H19F3N4O2/c1-12(2,3)17-11(21)20-6-4-8(5-7-20)9-18-19-10(22-9)13(14,15)16/h8H,4-7H2,1-3H3,(H,17,21)
InChIKeyHLUAQOGOAWDJHT-UHFFFAOYSA-N
MW320.32 g/mol
LogP2.78
Rot. Bonds1

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

N-tert-butyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide (PubChem CID 90540000) has the molecular formula C13H19F3N4O2 and a molecular weight of 320.32 g/mol. Its IUPAC name is N-tert-butyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide
PubChem CID90540000
Molecular FormulaC13H19F3N4O2
Molecular Weight320.32 g/mol
Exact Mass320.15
IUPAC NameN-tert-butyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCC(c2nnc(C(F)(F)F)o2)CC1
InChIInChI=1S/C13H19F3N4O2/c1-12(2,3)17-11(21)20-6-4-8(5-7-20)9-18-19-10(22-9)13(14,15)16/h8H,4-7H2,1-3H3,(H,17,21)
InChIKeyHLUAQOGOAWDJHT-UHFFFAOYSA-N
XLogP2.78
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide?
The IUPAC name of N-tert-butyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide (CID 90540000) is N-tert-butyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-tert-butyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide?
The canonical SMILES for N-tert-butyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide is CC(C)(C)NC(=O)N1CCC(c2nnc(C(F)(F)F)o2)CC1.
What is the InChIKey of N-tert-butyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide?
The InChIKey is HLUAQOGOAWDJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O2/c1-12(2,3)17-11(21)20-6-4-8(5-7-20)9-18-19-10(22-9)13(14,15)16/h8H,4-7H2,1-3H3,(H,17,21).
What are the key properties of N-tert-butyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide?
N-tert-butyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide has a molecular weight of 320.32 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 90540000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).