2,2,2-trifluoro-N-(oxan-4-yl)-N-piperidin-4-ylacetamide

C12H19F3N2O2 — CID 172909065

IUPAC2,2,2-trifluoro-N-(oxan-4-yl)-N-piperidin-4-ylacetamide
SMILESO=C(N(C1CCNCC1)C1CCOCC1)C(F)(F)F
InChIInChI=1S/C12H19F3N2O2/c13-12(14,15)11(18)17(9-1-5-16-6-2-9)10-3-7-19-8-4-10/h9-10,16H,1-8H2
InChIKeyMJORZHZZZPFFBY-UHFFFAOYSA-N
MW280.29 g/mol
LogP1.31
Rot. Bonds2

About 2,2,2-trifluoro-N-(oxan-4-yl)-N-piperidin-4-ylacetamide

2,2,2-trifluoro-N-(oxan-4-yl)-N-piperidin-4-ylacetamide (PubChem CID 172909065) has the molecular formula C12H19F3N2O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(oxan-4-yl)-N-piperidin-4-ylacetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(oxan-4-yl)-N-piperidin-4-ylacetamide
PubChem CID172909065
Molecular FormulaC12H19F3N2O2
Molecular Weight280.29 g/mol
Exact Mass280.14
IUPAC Name2,2,2-trifluoro-N-(oxan-4-yl)-N-piperidin-4-ylacetamide
SMILESO=C(N(C1CCNCC1)C1CCOCC1)C(F)(F)F
InChIInChI=1S/C12H19F3N2O2/c13-12(14,15)11(18)17(9-1-5-16-6-2-9)10-3-7-19-8-4-10/h9-10,16H,1-8H2
InChIKeyMJORZHZZZPFFBY-UHFFFAOYSA-N
XLogP1.31
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 51.31
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-(oxan-4-yl)-N-piperidin-4-ylacetamide?
The IUPAC name of 2,2,2-trifluoro-N-(oxan-4-yl)-N-piperidin-4-ylacetamide (CID 172909065) is 2,2,2-trifluoro-N-(oxan-4-yl)-N-piperidin-4-ylacetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(oxan-4-yl)-N-piperidin-4-ylacetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(oxan-4-yl)-N-piperidin-4-ylacetamide is O=C(N(C1CCNCC1)C1CCOCC1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(oxan-4-yl)-N-piperidin-4-ylacetamide?
The InChIKey is MJORZHZZZPFFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O2/c13-12(14,15)11(18)17(9-1-5-16-6-2-9)10-3-7-19-8-4-10/h9-10,16H,1-8H2.
What are the key properties of 2,2,2-trifluoro-N-(oxan-4-yl)-N-piperidin-4-ylacetamide?
2,2,2-trifluoro-N-(oxan-4-yl)-N-piperidin-4-ylacetamide has a molecular weight of 280.29 g/mol, XLogP of 1.31, 2 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-(oxan-4-yl)-N-piperidin-4-ylacetamide is sourced from PubChem (CID 172909065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).