2,2,2-trifluoro-N-[[1-methyl-4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide

C11H15F6N3O2 — CID 18449262

IUPAC2,2,2-trifluoro-N-[[1-methyl-4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide
SMILESCN1CCC(CNC(=O)C(F)(F)F)(NC(=O)C(F)(F)F)CC1
InChIInChI=1S/C11H15F6N3O2/c1-20-4-2-9(3-5-20,19-8(22)11(15,16)17)6-18-7(21)10(12,13)14/h2-6H2,1H3,(H,18,21)(H,19,22)
InChIKeyXUPJOQCFHAFARG-UHFFFAOYSA-N
MW335.25 g/mol
LogP0.81
Rot. Bonds3

About 2,2,2-trifluoro-N-[[1-methyl-4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide

2,2,2-trifluoro-N-[[1-methyl-4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide (PubChem CID 18449262) has the molecular formula C11H15F6N3O2 and a molecular weight of 335.25 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[[1-methyl-4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[[1-methyl-4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide
PubChem CID18449262
Molecular FormulaC11H15F6N3O2
Molecular Weight335.25 g/mol
Exact Mass335.11
IUPAC Name2,2,2-trifluoro-N-[[1-methyl-4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide
SMILESCN1CCC(CNC(=O)C(F)(F)F)(NC(=O)C(F)(F)F)CC1
InChIInChI=1S/C11H15F6N3O2/c1-20-4-2-9(3-5-20,19-8(22)11(15,16)17)6-18-7(21)10(12,13)14/h2-6H2,1H3,(H,18,21)(H,19,22)
InChIKeyXUPJOQCFHAFARG-UHFFFAOYSA-N
XLogP0.81
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[[1-methyl-4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[[1-methyl-4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide (CID 18449262) is 2,2,2-trifluoro-N-[[1-methyl-4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[[1-methyl-4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[[1-methyl-4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide is CN1CCC(CNC(=O)C(F)(F)F)(NC(=O)C(F)(F)F)CC1.
What is the InChIKey of 2,2,2-trifluoro-N-[[1-methyl-4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide?
The InChIKey is XUPJOQCFHAFARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F6N3O2/c1-20-4-2-9(3-5-20,19-8(22)11(15,16)17)6-18-7(21)10(12,13)14/h2-6H2,1H3,(H,18,21)(H,19,22).
What are the key properties of 2,2,2-trifluoro-N-[[1-methyl-4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide?
2,2,2-trifluoro-N-[[1-methyl-4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide has a molecular weight of 335.25 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[[1-methyl-4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 18449262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).