2,2,2-trifluoro-N-[(2S,3R)-2-[1-(2-methylpropanoyl)piperidin-4-yl]oxolan-3-yl]acetamide

C15H23F3N2O3 — CID 126820323

IUPAC2,2,2-trifluoro-N-[(2S,3R)-2-[1-(2-methylpropanoyl)piperidin-4-yl]oxolan-3-yl]acetamide
SMILESCC(C)C(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1
InChIInChI=1S/C15H23F3N2O3/c1-9(2)13(21)20-6-3-10(4-7-20)12-11(5-8-23-12)19-14(22)15(16,17)18/h9-12H,3-8H2,1-2H3,(H,19,22)/t11-,12+/m1/s1
InChIKeyZQXQYQAXXGERDU-NEPJUHHUSA-N
MW336.35 g/mol
LogP1.72
Rot. Bonds3

About 2,2,2-trifluoro-N-[(2S,3R)-2-[1-(2-methylpropanoyl)piperidin-4-yl]oxolan-3-yl]acetamide

2,2,2-trifluoro-N-[(2S,3R)-2-[1-(2-methylpropanoyl)piperidin-4-yl]oxolan-3-yl]acetamide (PubChem CID 126820323) has the molecular formula C15H23F3N2O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(2S,3R)-2-[1-(2-methylpropanoyl)piperidin-4-yl]oxolan-3-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(2S,3R)-2-[1-(2-methylpropanoyl)piperidin-4-yl]oxolan-3-yl]acetamide
PubChem CID126820323
Molecular FormulaC15H23F3N2O3
Molecular Weight336.35 g/mol
Exact Mass336.17
IUPAC Name2,2,2-trifluoro-N-[(2S,3R)-2-[1-(2-methylpropanoyl)piperidin-4-yl]oxolan-3-yl]acetamide
SMILESCC(C)C(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1
InChIInChI=1S/C15H23F3N2O3/c1-9(2)13(21)20-6-3-10(4-7-20)12-11(5-8-23-12)19-14(22)15(16,17)18/h9-12H,3-8H2,1-2H3,(H,19,22)/t11-,12+/m1/s1
InChIKeyZQXQYQAXXGERDU-NEPJUHHUSA-N
XLogP1.72
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(2S,3R)-2-[1-(2-methylpropanoyl)piperidin-4-yl]oxolan-3-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(2S,3R)-2-[1-(2-methylpropanoyl)piperidin-4-yl]oxolan-3-yl]acetamide (CID 126820323) is 2,2,2-trifluoro-N-[(2S,3R)-2-[1-(2-methylpropanoyl)piperidin-4-yl]oxolan-3-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(2S,3R)-2-[1-(2-methylpropanoyl)piperidin-4-yl]oxolan-3-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(2S,3R)-2-[1-(2-methylpropanoyl)piperidin-4-yl]oxolan-3-yl]acetamide is CC(C)C(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1.
What is the InChIKey of 2,2,2-trifluoro-N-[(2S,3R)-2-[1-(2-methylpropanoyl)piperidin-4-yl]oxolan-3-yl]acetamide?
The InChIKey is ZQXQYQAXXGERDU-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H23F3N2O3/c1-9(2)13(21)20-6-3-10(4-7-20)12-11(5-8-23-12)19-14(22)15(16,17)18/h9-12H,3-8H2,1-2H3,(H,19,22)/t11-,12+/m1/s1.
What are the key properties of 2,2,2-trifluoro-N-[(2S,3R)-2-[1-(2-methylpropanoyl)piperidin-4-yl]oxolan-3-yl]acetamide?
2,2,2-trifluoro-N-[(2S,3R)-2-[1-(2-methylpropanoyl)piperidin-4-yl]oxolan-3-yl]acetamide has a molecular weight of 336.35 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(2S,3R)-2-[1-(2-methylpropanoyl)piperidin-4-yl]oxolan-3-yl]acetamide is sourced from PubChem (CID 126820323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).