2-(4-ethyl-3,3-difluoropiperidin-1-yl)-1-(3-methoxyazetidin-1-yl)ethanone;methane

C14H26F2N2O2 — CID 156799167

IUPAC2-(4-ethyl-3,3-difluoropiperidin-1-yl)-1-(3-methoxyazetidin-1-yl)ethanone;methane
SMILESC.CCC1CCN(CC(=O)N2CC(OC)C2)CC1(F)F
InChIInChI=1S/C13H22F2N2O2.CH4/c1-3-10-4-5-16(9-13(10,14)15)8-12(18)17-6-11(7-17)19-2;/h10-11H,3-9H2,1-2H3;1H4
InChIKeyRISLHHLXULYYQP-UHFFFAOYSA-N
MW292.37 g/mol
LogP1.85
Rot. Bonds4

About 2-(4-ethyl-3,3-difluoropiperidin-1-yl)-1-(3-methoxyazetidin-1-yl)ethanone;methane

2-(4-ethyl-3,3-difluoropiperidin-1-yl)-1-(3-methoxyazetidin-1-yl)ethanone;methane (PubChem CID 156799167) has the molecular formula C14H26F2N2O2 and a molecular weight of 292.37 g/mol. Its IUPAC name is 2-(4-ethyl-3,3-difluoropiperidin-1-yl)-1-(3-methoxyazetidin-1-yl)ethanone;methane.

Molecular Properties

Compound Name2-(4-ethyl-3,3-difluoropiperidin-1-yl)-1-(3-methoxyazetidin-1-yl)ethanone;methane
PubChem CID156799167
Molecular FormulaC14H26F2N2O2
Molecular Weight292.37 g/mol
Exact Mass292.20
IUPAC Name2-(4-ethyl-3,3-difluoropiperidin-1-yl)-1-(3-methoxyazetidin-1-yl)ethanone;methane
SMILESC.CCC1CCN(CC(=O)N2CC(OC)C2)CC1(F)F
InChIInChI=1S/C13H22F2N2O2.CH4/c1-3-10-4-5-16(9-13(10,14)15)8-12(18)17-6-11(7-17)19-2;/h10-11H,3-9H2,1-2H3;1H4
InChIKeyRISLHHLXULYYQP-UHFFFAOYSA-N
XLogP1.85
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-3,3-difluoropiperidin-1-yl)-1-(3-methoxyazetidin-1-yl)ethanone;methane?
The IUPAC name of 2-(4-ethyl-3,3-difluoropiperidin-1-yl)-1-(3-methoxyazetidin-1-yl)ethanone;methane (CID 156799167) is 2-(4-ethyl-3,3-difluoropiperidin-1-yl)-1-(3-methoxyazetidin-1-yl)ethanone;methane.
What is the SMILES notation for 2-(4-ethyl-3,3-difluoropiperidin-1-yl)-1-(3-methoxyazetidin-1-yl)ethanone;methane?
The canonical SMILES for 2-(4-ethyl-3,3-difluoropiperidin-1-yl)-1-(3-methoxyazetidin-1-yl)ethanone;methane is C.CCC1CCN(CC(=O)N2CC(OC)C2)CC1(F)F.
What is the InChIKey of 2-(4-ethyl-3,3-difluoropiperidin-1-yl)-1-(3-methoxyazetidin-1-yl)ethanone;methane?
The InChIKey is RISLHHLXULYYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F2N2O2.CH4/c1-3-10-4-5-16(9-13(10,14)15)8-12(18)17-6-11(7-17)19-2;/h10-11H,3-9H2,1-2H3;1H4.
What are the key properties of 2-(4-ethyl-3,3-difluoropiperidin-1-yl)-1-(3-methoxyazetidin-1-yl)ethanone;methane?
2-(4-ethyl-3,3-difluoropiperidin-1-yl)-1-(3-methoxyazetidin-1-yl)ethanone;methane has a molecular weight of 292.37 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-3,3-difluoropiperidin-1-yl)-1-(3-methoxyazetidin-1-yl)ethanone;methane is sourced from PubChem (CID 156799167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).