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

C12H22N2O2 — CID 166537028

IUPAC2-(1-methylazetidin-3-yl)oxy-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)COC2CN(C)C2)CC1
InChIInChI=1S/C12H22N2O2/c1-10-3-5-14(6-4-10)12(15)9-16-11-7-13(2)8-11/h10-11H,3-9H2,1-2H3
InChIKeyITLIEAZZGBOQJL-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.58
Rot. Bonds3

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

2-(1-methylazetidin-3-yl)oxy-1-(4-methylpiperidin-1-yl)ethanone (PubChem CID 166537028) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-(1-methylazetidin-3-yl)oxy-1-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(1-methylazetidin-3-yl)oxy-1-(4-methylpiperidin-1-yl)ethanone
PubChem CID166537028
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-(1-methylazetidin-3-yl)oxy-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)COC2CN(C)C2)CC1
InChIInChI=1S/C12H22N2O2/c1-10-3-5-14(6-4-10)12(15)9-16-11-7-13(2)8-11/h10-11H,3-9H2,1-2H3
InChIKeyITLIEAZZGBOQJL-UHFFFAOYSA-N
XLogP0.58
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(1-methylazetidin-3-yl)oxy-1-(4-methylpiperidin-1-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-aminooxy-1-(4-methylpiperidin-1-yl)ethanone
CID 83967675
2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]oxyacetic acid
CID 63903774
2-hydroxy-1-(4-methylpiperidin-1-yl)ethanone
CID 16769494
2-methoxy-1-[(3S)-3-methylpyrrolidin-1-yl]ethanone
CID 145013525
2-(methoxymethoxy)-1-(4-methylpiperidin-1-yl)ethanone
CID 143192763
2-hydroxy-1-(4-methylpiperidin-1-yl)ethanone;propane
CID 153363552
1-[(3R)-1-methylpyrrolidin-3-yl]oxypropan-2-one
CID 162750810
2-(azetidin-3-yloxy)-1-(4-methylpiperazin-1-yl)ethanone
CID 63107383
1-(3,5-dimethylpiperidin-1-yl)-2-piperidin-4-yloxyethanone
CID 63875663
2-ethoxy-1-(4-methylazepan-1-yl)ethanone
CID 62046305
2-bromo-1-(4-methylpiperidin-1-yl)ethanone
CID 52984046
ethane;1-(4-methylpiperidin-1-yl)propan-1-one
CID 143648090

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylazetidin-3-yl)oxy-1-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(1-methylazetidin-3-yl)oxy-1-(4-methylpiperidin-1-yl)ethanone (CID 166537028) is 2-(1-methylazetidin-3-yl)oxy-1-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(1-methylazetidin-3-yl)oxy-1-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(1-methylazetidin-3-yl)oxy-1-(4-methylpiperidin-1-yl)ethanone is CC1CCN(C(=O)COC2CN(C)C2)CC1.
What is the InChIKey of 2-(1-methylazetidin-3-yl)oxy-1-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is ITLIEAZZGBOQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-10-3-5-14(6-4-10)12(15)9-16-11-7-13(2)8-11/h10-11H,3-9H2,1-2H3.
What are the key properties of 2-(1-methylazetidin-3-yl)oxy-1-(4-methylpiperidin-1-yl)ethanone?
2-(1-methylazetidin-3-yl)oxy-1-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 226.32 g/mol, XLogP of 0.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylazetidin-3-yl)oxy-1-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 166537028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).