2,2,2-trifluoro-N-(4-methylpiperidin-3-yl)acetamide

C8H13F3N2O — CID 122702900

IUPAC2,2,2-trifluoro-N-(4-methylpiperidin-3-yl)acetamide
SMILESCC1CCNCC1NC(=O)C(F)(F)F
InChIInChI=1S/C8H13F3N2O/c1-5-2-3-12-4-6(5)13-7(14)8(9,10)11/h5-6,12H,2-4H2,1H3,(H,13,14)
InChIKeyWAQXQDZQKQGXSP-UHFFFAOYSA-N
MW210.20 g/mol
LogP0.66
Rot. Bonds1

About 2,2,2-trifluoro-N-(4-methylpiperidin-3-yl)acetamide

2,2,2-trifluoro-N-(4-methylpiperidin-3-yl)acetamide (PubChem CID 122702900) has the molecular formula C8H13F3N2O and a molecular weight of 210.20 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(4-methylpiperidin-3-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(4-methylpiperidin-3-yl)acetamide
PubChem CID122702900
Molecular FormulaC8H13F3N2O
Molecular Weight210.20 g/mol
Exact Mass210.10
IUPAC Name2,2,2-trifluoro-N-(4-methylpiperidin-3-yl)acetamide
SMILESCC1CCNCC1NC(=O)C(F)(F)F
InChIInChI=1S/C8H13F3N2O/c1-5-2-3-12-4-6(5)13-7(14)8(9,10)11/h5-6,12H,2-4H2,1H3,(H,13,14)
InChIKeyWAQXQDZQKQGXSP-UHFFFAOYSA-N
XLogP0.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(4-methylpiperidin-3-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(4-methylpiperidin-3-yl)acetamide (CID 122702900) is 2,2,2-trifluoro-N-(4-methylpiperidin-3-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(4-methylpiperidin-3-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(4-methylpiperidin-3-yl)acetamide is CC1CCNCC1NC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(4-methylpiperidin-3-yl)acetamide?
The InChIKey is WAQXQDZQKQGXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O/c1-5-2-3-12-4-6(5)13-7(14)8(9,10)11/h5-6,12H,2-4H2,1H3,(H,13,14).
What are the key properties of 2,2,2-trifluoro-N-(4-methylpiperidin-3-yl)acetamide?
2,2,2-trifluoro-N-(4-methylpiperidin-3-yl)acetamide has a molecular weight of 210.20 g/mol, XLogP of 0.66, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(4-methylpiperidin-3-yl)acetamide is sourced from PubChem (CID 122702900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).