2,2,2-trifluoro-N-methyl-N-(1-methylpiperidin-4-yl)acetamide

C9H15F3N2O — CID 60707975

IUPAC2,2,2-trifluoro-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
SMILESCN1CCC(N(C)C(=O)C(F)(F)F)CC1
InChIInChI=1S/C9H15F3N2O/c1-13-5-3-7(4-6-13)14(2)8(15)9(10,11)12/h7H,3-6H2,1-2H3
InChIKeyIIPZNLCIKIWTRS-UHFFFAOYSA-N
MW224.23 g/mol
LogP1.10
Rot. Bonds1

About 2,2,2-trifluoro-N-methyl-N-(1-methylpiperidin-4-yl)acetamide

2,2,2-trifluoro-N-methyl-N-(1-methylpiperidin-4-yl)acetamide (PubChem CID 60707975) has the molecular formula C9H15F3N2O and a molecular weight of 224.23 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-N-(1-methylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
PubChem CID60707975
Molecular FormulaC9H15F3N2O
Molecular Weight224.23 g/mol
Exact Mass224.11
IUPAC Name2,2,2-trifluoro-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
SMILESCN1CCC(N(C)C(=O)C(F)(F)F)CC1
InChIInChI=1S/C9H15F3N2O/c1-13-5-3-7(4-6-13)14(2)8(15)9(10,11)12/h7H,3-6H2,1-2H3
InChIKeyIIPZNLCIKIWTRS-UHFFFAOYSA-N
XLogP1.10
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-Trifluoro-1-(4-(piperidin-1-yl)piperidin-1-yl)ethanone
CID 24744899
1-Trifluoroacetyl piperidine
CID 5181830
N-Cyclohexyl-2,2,2-trifluoro-N-methylacetamide
CID 62491979
2,2,2-Trifluoro-1-(3-isocyanatopiperidin-1-yl)ethanone
CID 2778966
2,2,2-Trifluoro-1-(4-isocyanatopiperidin-1-yl)ethanone
CID 2778967
2,2,2-Trifluoro-1-(cis-3-fluoro-2-methylpiperidin-1-yl)ethan-1-one
CID 134827886
2,2,2-Trifluoro-1-(cis-5-fluoro-2-methylpiperidin-1-yl)ethan-1-one
CID 134827919
Acetamide, 2,2,2-trifluoro-N-(1-methylpiperidin-4-yl)-
CID 6421687
1-(3,3,3-Trifluoropropanoyl)piperidine
CID 14383592
1-(4,4-Difluoropiperidin-1-yl)ethanone
CID 23402906
N-(1-ethylpiperidin-4-yl)-2,2,2-trifluoroacetamide
CID 62732802
2,2,2-Trifluoro-1-(cis-4-fluoro-2-methylpiperidin-1-yl)ethan-1-one
CID 134827917

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-methyl-N-(1-methylpiperidin-4-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-methyl-N-(1-methylpiperidin-4-yl)acetamide (CID 60707975) is 2,2,2-trifluoro-N-methyl-N-(1-methylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-N-(1-methylpiperidin-4-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-N-(1-methylpiperidin-4-yl)acetamide is CN1CCC(N(C)C(=O)C(F)(F)F)CC1.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-N-(1-methylpiperidin-4-yl)acetamide?
The InChIKey is IIPZNLCIKIWTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O/c1-13-5-3-7(4-6-13)14(2)8(15)9(10,11)12/h7H,3-6H2,1-2H3.
What are the key properties of 2,2,2-trifluoro-N-methyl-N-(1-methylpiperidin-4-yl)acetamide?
2,2,2-trifluoro-N-methyl-N-(1-methylpiperidin-4-yl)acetamide has a molecular weight of 224.23 g/mol, XLogP of 1.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-methyl-N-(1-methylpiperidin-4-yl)acetamide is sourced from PubChem (CID 60707975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).