N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide

C12H15F3N4O3 — CID 110318371

IUPACN-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESCc1nnc(CNC(=O)C2CCN(C(=O)C(F)(F)F)CC2)o1
InChIInChI=1S/C12H15F3N4O3/c1-7-17-18-9(22-7)6-16-10(20)8-2-4-19(5-3-8)11(21)12(13,14)15/h8H,2-6H2,1H3,(H,16,20)
InChIKeyFBHPELJSZHQFKX-UHFFFAOYSA-N
MW320.27 g/mol
LogP0.80
Rot. Bonds3

About N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide

N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (PubChem CID 110318371) has the molecular formula C12H15F3N4O3 and a molecular weight of 320.27 g/mol. Its IUPAC name is N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
PubChem CID110318371
Molecular FormulaC12H15F3N4O3
Molecular Weight320.27 g/mol
Exact Mass320.11
IUPAC NameN-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESCc1nnc(CNC(=O)C2CCN(C(=O)C(F)(F)F)CC2)o1
InChIInChI=1S/C12H15F3N4O3/c1-7-17-18-9(22-7)6-16-10(20)8-2-4-19(5-3-8)11(21)12(13,14)15/h8H,2-6H2,1H3,(H,16,20)
InChIKeyFBHPELJSZHQFKX-UHFFFAOYSA-N
XLogP0.80
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The IUPAC name of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (CID 110318371) is N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is Cc1nnc(CNC(=O)C2CCN(C(=O)C(F)(F)F)CC2)o1.
What is the InChIKey of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The InChIKey is FBHPELJSZHQFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4O3/c1-7-17-18-9(22-7)6-16-10(20)8-2-4-19(5-3-8)11(21)12(13,14)15/h8H,2-6H2,1H3,(H,16,20).
What are the key properties of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide has a molecular weight of 320.27 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 110318371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).