1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-(3-methylazetidin-3-yl)oxyethanone

C13H22N2O3 — CID 102656646

IUPAC1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-(3-methylazetidin-3-yl)oxyethanone
SMILESCOCC1=CCN(C(=O)COC2(C)CNC2)CC1
InChIInChI=1S/C13H22N2O3/c1-13(9-14-10-13)18-8-12(16)15-5-3-11(4-6-15)7-17-2/h3,14H,4-10H2,1-2H3
InChIKeyWPWVWKYCWSMEPH-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.17
Rot. Bonds5

About 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-(3-methylazetidin-3-yl)oxyethanone

1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-(3-methylazetidin-3-yl)oxyethanone (PubChem CID 102656646) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-(3-methylazetidin-3-yl)oxyethanone.

Molecular Properties

Compound Name1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-(3-methylazetidin-3-yl)oxyethanone
PubChem CID102656646
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-(3-methylazetidin-3-yl)oxyethanone
SMILESCOCC1=CCN(C(=O)COC2(C)CNC2)CC1
InChIInChI=1S/C13H22N2O3/c1-13(9-14-10-13)18-8-12(16)15-5-3-11(4-6-15)7-17-2/h3,14H,4-10H2,1-2H3
InChIKeyWPWVWKYCWSMEPH-UHFFFAOYSA-N
XLogP0.17
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-(3-methylazetidin-3-yl)oxyethanone 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-(3-methylazetidin-3-yl)oxy-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 102656652
1-(3,6-dihydro-2H-pyridin-1-yl)-2-(3-methylazetidin-3-yl)oxyethanone
CID 102656644
2-(3-methylazetidin-3-yl)oxy-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 102656645
4-(methoxymethyl)-1-[2-(3-methylazetidin-3-yl)oxyethyl]-3,6-dihydro-2H-pyridine
CID 102657075
2-methoxy-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one
CID 104919712
1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-propoxyethanone
CID 104919714
3-amino-2-methoxy-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 106113959
2-(3-methylazetidin-3-yl)oxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 106313835
1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 113578551
[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-morpholin-2-ylmethanone
CID 113581471
2-ethoxy-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 114390110
1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-propan-2-yloxyethanone
CID 114390124

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-(3-methylazetidin-3-yl)oxyethanone?
The IUPAC name of 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-(3-methylazetidin-3-yl)oxyethanone (CID 102656646) is 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-(3-methylazetidin-3-yl)oxyethanone.
What is the SMILES notation for 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-(3-methylazetidin-3-yl)oxyethanone?
The canonical SMILES for 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-(3-methylazetidin-3-yl)oxyethanone is COCC1=CCN(C(=O)COC2(C)CNC2)CC1.
What is the InChIKey of 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-(3-methylazetidin-3-yl)oxyethanone?
The InChIKey is WPWVWKYCWSMEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-13(9-14-10-13)18-8-12(16)15-5-3-11(4-6-15)7-17-2/h3,14H,4-10H2,1-2H3.
What are the key properties of 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-(3-methylazetidin-3-yl)oxyethanone?
1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-(3-methylazetidin-3-yl)oxyethanone has a molecular weight of 254.33 g/mol, XLogP of 0.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-(3-methylazetidin-3-yl)oxyethanone is sourced from PubChem (CID 102656646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).