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

C15H23F3N2O3 — CID 71983917

IUPAC2-(oxan-4-yl)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide
SMILESO=C(CC1CCOCC1)NCC1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C15H23F3N2O3/c16-15(17,18)14(22)20-5-1-12(2-6-20)10-19-13(21)9-11-3-7-23-8-4-11/h11-12H,1-10H2,(H,19,21)
InChIKeyWAWNGZBBRJYWLJ-UHFFFAOYSA-N
MW336.35 g/mol
LogP1.72
Rot. Bonds4

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

2-(oxan-4-yl)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide (PubChem CID 71983917) has the molecular formula C15H23F3N2O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is 2-(oxan-4-yl)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(oxan-4-yl)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide
PubChem CID71983917
Molecular FormulaC15H23F3N2O3
Molecular Weight336.35 g/mol
Exact Mass336.17
IUPAC Name2-(oxan-4-yl)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide
SMILESO=C(CC1CCOCC1)NCC1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C15H23F3N2O3/c16-15(17,18)14(22)20-5-1-12(2-6-20)10-19-13(21)9-11-3-7-23-8-4-11/h11-12H,1-10H2,(H,19,21)
InChIKeyWAWNGZBBRJYWLJ-UHFFFAOYSA-N
XLogP1.72
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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-(oxan-4-yl)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of 2-(oxan-4-yl)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide (CID 71983917) is 2-(oxan-4-yl)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for 2-(oxan-4-yl)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for 2-(oxan-4-yl)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide is O=C(CC1CCOCC1)NCC1CCN(C(=O)C(F)(F)F)CC1.
What is the InChIKey of 2-(oxan-4-yl)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide?
The InChIKey is WAWNGZBBRJYWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N2O3/c16-15(17,18)14(22)20-5-1-12(2-6-20)10-19-13(21)9-11-3-7-23-8-4-11/h11-12H,1-10H2,(H,19,21).
What are the key properties of 2-(oxan-4-yl)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide?
2-(oxan-4-yl)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide has a molecular weight of 336.35 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 71983917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).