2-(3-methylazetidin-3-yl)oxy-1-(4-methylpiperazin-1-yl)ethanone

C11H21N3O2 — CID 83067264

IUPAC2-(3-methylazetidin-3-yl)oxy-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)COC2(C)CNC2)CC1
InChIInChI=1S/C11H21N3O2/c1-11(8-12-9-11)16-7-10(15)14-5-3-13(2)4-6-14/h12H,3-9H2,1-2H3
InChIKeyVXFTTWNUGWVKHK-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.86
Rot. Bonds3

About 2-(3-methylazetidin-3-yl)oxy-1-(4-methylpiperazin-1-yl)ethanone

2-(3-methylazetidin-3-yl)oxy-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 83067264) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-(3-methylazetidin-3-yl)oxy-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3-methylazetidin-3-yl)oxy-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID83067264
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name2-(3-methylazetidin-3-yl)oxy-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)COC2(C)CNC2)CC1
InChIInChI=1S/C11H21N3O2/c1-11(8-12-9-11)16-7-10(15)14-5-3-13(2)4-6-14/h12H,3-9H2,1-2H3
InChIKeyVXFTTWNUGWVKHK-UHFFFAOYSA-N
XLogP-0.86
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylazetidin-3-yl)oxy-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(3-methylazetidin-3-yl)oxy-1-(4-methylpiperazin-1-yl)ethanone (CID 83067264) is 2-(3-methylazetidin-3-yl)oxy-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(3-methylazetidin-3-yl)oxy-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(3-methylazetidin-3-yl)oxy-1-(4-methylpiperazin-1-yl)ethanone is CN1CCN(C(=O)COC2(C)CNC2)CC1.
What is the InChIKey of 2-(3-methylazetidin-3-yl)oxy-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is VXFTTWNUGWVKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-11(8-12-9-11)16-7-10(15)14-5-3-13(2)4-6-14/h12H,3-9H2,1-2H3.
What are the key properties of 2-(3-methylazetidin-3-yl)oxy-1-(4-methylpiperazin-1-yl)ethanone?
2-(3-methylazetidin-3-yl)oxy-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 227.31 g/mol, XLogP of -0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylazetidin-3-yl)oxy-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 83067264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).