2-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide

C13H21F3N2O2 — CID 79759508

IUPAC2-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
SMILESCC1OCCC1C(=O)N(CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C13H21F3N2O2/c1-9-11(4-7-20-9)12(19)18(8-13(14,15)16)10-2-5-17-6-3-10/h9-11,17H,2-8H2,1H3
InChIKeyYKADTIPQYLKAPF-UHFFFAOYSA-N
MW294.32 g/mol
LogP1.55
Rot. Bonds3

About 2-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide

2-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide (PubChem CID 79759508) has the molecular formula C13H21F3N2O2 and a molecular weight of 294.32 g/mol. Its IUPAC name is 2-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
PubChem CID79759508
Molecular FormulaC13H21F3N2O2
Molecular Weight294.32 g/mol
Exact Mass294.16
IUPAC Name2-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
SMILESCC1OCCC1C(=O)N(CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C13H21F3N2O2/c1-9-11(4-7-20-9)12(19)18(8-13(14,15)16)10-2-5-17-6-3-10/h9-11,17H,2-8H2,1H3
InChIKeyYKADTIPQYLKAPF-UHFFFAOYSA-N
XLogP1.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
The IUPAC name of 2-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide (CID 79759508) is 2-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide.
What is the SMILES notation for 2-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
The canonical SMILES for 2-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide is CC1OCCC1C(=O)N(CC(F)(F)F)C1CCNCC1.
What is the InChIKey of 2-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
The InChIKey is YKADTIPQYLKAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O2/c1-9-11(4-7-20-9)12(19)18(8-13(14,15)16)10-2-5-17-6-3-10/h9-11,17H,2-8H2,1H3.
What are the key properties of 2-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
2-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide has a molecular weight of 294.32 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide is sourced from PubChem (CID 79759508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).