2,2,2-trifluoro-1-[2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone

C15H19F3N4O3 — CID 110423708

IUPAC2,2,2-trifluoro-1-[2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone
SMILESCc1nnc(C2CCN(C(=O)C3CCCN3C(=O)C(F)(F)F)CC2)o1
InChIInChI=1S/C15H19F3N4O3/c1-9-19-20-12(25-9)10-4-7-21(8-5-10)13(23)11-3-2-6-22(11)14(24)15(16,17)18/h10-11H,2-8H2,1H3
InChIKeyREFCCNIBIHJLEZ-UHFFFAOYSA-N
MW360.34 g/mol
LogP1.64
Rot. Bonds2

About 2,2,2-trifluoro-1-[2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone

2,2,2-trifluoro-1-[2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone (PubChem CID 110423708) has the molecular formula C15H19F3N4O3 and a molecular weight of 360.34 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone
PubChem CID110423708
Molecular FormulaC15H19F3N4O3
Molecular Weight360.34 g/mol
Exact Mass360.14
IUPAC Name2,2,2-trifluoro-1-[2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone
SMILESCc1nnc(C2CCN(C(=O)C3CCCN3C(=O)C(F)(F)F)CC2)o1
InChIInChI=1S/C15H19F3N4O3/c1-9-19-20-12(25-9)10-4-7-21(8-5-10)13(23)11-3-2-6-22(11)14(24)15(16,17)18/h10-11H,2-8H2,1H3
InChIKeyREFCCNIBIHJLEZ-UHFFFAOYSA-N
XLogP1.64
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone (CID 110423708) is 2,2,2-trifluoro-1-[2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone is Cc1nnc(C2CCN(C(=O)C3CCCN3C(=O)C(F)(F)F)CC2)o1.
What is the InChIKey of 2,2,2-trifluoro-1-[2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone?
The InChIKey is REFCCNIBIHJLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N4O3/c1-9-19-20-12(25-9)10-4-7-21(8-5-10)13(23)11-3-2-6-22(11)14(24)15(16,17)18/h10-11H,2-8H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-[2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone?
2,2,2-trifluoro-1-[2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone has a molecular weight of 360.34 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 110423708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).