1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C13H19F3N4O2 — CID 133331707

IUPAC1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCC(C)c1noc(N2CCCC(C(=O)NCC(F)(F)F)C2)n1
InChIInChI=1S/C13H19F3N4O2/c1-8(2)10-18-12(22-19-10)20-5-3-4-9(6-20)11(21)17-7-13(14,15)16/h8-9H,3-7H2,1-2H3,(H,17,21)
InChIKeyMYQZVWXGCKHQNO-UHFFFAOYSA-N
MW320.32 g/mol
LogP2.09
Rot. Bonds4

About 1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 133331707) has the molecular formula C13H19F3N4O2 and a molecular weight of 320.32 g/mol. Its IUPAC name is 1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID133331707
Molecular FormulaC13H19F3N4O2
Molecular Weight320.32 g/mol
Exact Mass320.15
IUPAC Name1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCC(C)c1noc(N2CCCC(C(=O)NCC(F)(F)F)C2)n1
InChIInChI=1S/C13H19F3N4O2/c1-8(2)10-18-12(22-19-10)20-5-3-4-9(6-20)11(21)17-7-13(14,15)16/h8-9H,3-7H2,1-2H3,(H,17,21)
InChIKeyMYQZVWXGCKHQNO-UHFFFAOYSA-N
XLogP2.09
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 133331707) is 1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is CC(C)c1noc(N2CCCC(C(=O)NCC(F)(F)F)C2)n1.
What is the InChIKey of 1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is MYQZVWXGCKHQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O2/c1-8(2)10-18-12(22-19-10)20-5-3-4-9(6-20)11(21)17-7-13(14,15)16/h8-9H,3-7H2,1-2H3,(H,17,21).
What are the key properties of 1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 320.32 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 133331707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).