2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-(3-propan-2-yloxyazetidin-1-yl)ethanone

C16H28F2N2O2 — CID 172511234

IUPAC2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-(3-propan-2-yloxyazetidin-1-yl)ethanone
SMILESCC(C)OC1CN(C(=O)CN2CCC(C(C)C)C(F)(F)C2)C1
InChIInChI=1S/C16H28F2N2O2/c1-11(2)14-5-6-19(10-16(14,17)18)9-15(21)20-7-13(8-20)22-12(3)4/h11-14H,5-10H2,1-4H3
InChIKeyNJUHCXMSXFCSTD-UHFFFAOYSA-N
MW318.41 g/mol
LogP2.24
Rot. Bonds5

About 2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-(3-propan-2-yloxyazetidin-1-yl)ethanone

2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-(3-propan-2-yloxyazetidin-1-yl)ethanone (PubChem CID 172511234) has the molecular formula C16H28F2N2O2 and a molecular weight of 318.41 g/mol. Its IUPAC name is 2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-(3-propan-2-yloxyazetidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-(3-propan-2-yloxyazetidin-1-yl)ethanone
PubChem CID172511234
Molecular FormulaC16H28F2N2O2
Molecular Weight318.41 g/mol
Exact Mass318.21
IUPAC Name2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-(3-propan-2-yloxyazetidin-1-yl)ethanone
SMILESCC(C)OC1CN(C(=O)CN2CCC(C(C)C)C(F)(F)C2)C1
InChIInChI=1S/C16H28F2N2O2/c1-11(2)14-5-6-19(10-16(14,17)18)9-15(21)20-7-13(8-20)22-12(3)4/h11-14H,5-10H2,1-4H3
InChIKeyNJUHCXMSXFCSTD-UHFFFAOYSA-N
XLogP2.24
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-(3-propan-2-yloxyazetidin-1-yl)ethanone?
The IUPAC name of 2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-(3-propan-2-yloxyazetidin-1-yl)ethanone (CID 172511234) is 2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-(3-propan-2-yloxyazetidin-1-yl)ethanone.
What is the SMILES notation for 2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-(3-propan-2-yloxyazetidin-1-yl)ethanone?
The canonical SMILES for 2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-(3-propan-2-yloxyazetidin-1-yl)ethanone is CC(C)OC1CN(C(=O)CN2CCC(C(C)C)C(F)(F)C2)C1.
What is the InChIKey of 2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-(3-propan-2-yloxyazetidin-1-yl)ethanone?
The InChIKey is NJUHCXMSXFCSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28F2N2O2/c1-11(2)14-5-6-19(10-16(14,17)18)9-15(21)20-7-13(8-20)22-12(3)4/h11-14H,5-10H2,1-4H3.
What are the key properties of 2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-(3-propan-2-yloxyazetidin-1-yl)ethanone?
2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-(3-propan-2-yloxyazetidin-1-yl)ethanone has a molecular weight of 318.41 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-(3-propan-2-yloxyazetidin-1-yl)ethanone is sourced from PubChem (CID 172511234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).