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

C11H18N2O2 — CID 114409778

IUPACazetidin-3-yl-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESCOCC1=CCN(C(=O)C2CNC2)CC1
InChIInChI=1S/C11H18N2O2/c1-15-8-9-2-4-13(5-3-9)11(14)10-6-12-7-10/h2,10,12H,3-8H2,1H3
InChIKeyIALYIXYNHHIVCP-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.01
Rot. Bonds3

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

azetidin-3-yl-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (PubChem CID 114409778) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is azetidin-3-yl-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.

Molecular Properties

Compound Nameazetidin-3-yl-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
PubChem CID114409778
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Nameazetidin-3-yl-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESCOCC1=CCN(C(=O)C2CNC2)CC1
InChIInChI=1S/C11H18N2O2/c1-15-8-9-2-4-13(5-3-9)11(14)10-6-12-7-10/h2,10,12H,3-8H2,1H3
InChIKeyIALYIXYNHHIVCP-UHFFFAOYSA-N
XLogP0.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-(1,2,3,4-tetrahydroquinolin-3-yl)methanone
CID 106901792
2,2-difluoro-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 103516108
4-(methoxymethyl)-N-methyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 114401798
N-tert-butyl-4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 114401800
1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidine-3-carboxylic acid
CID 114412081
[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 114412341
2-bromo-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 107905856
2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 114409760
4-(methoxymethyl)-N-methyl-3,6-dihydro-2H-pyridine-1-carbothioamide
CID 130621040
(2S)-2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one
CID 104921275
1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-methyl-2-sulfanylbutan-1-one
CID 107036253
(2R)-2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-methylbutan-1-one
CID 104921259

Frequently Asked Questions

What is the IUPAC name of azetidin-3-yl-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The IUPAC name of azetidin-3-yl-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (CID 114409778) is azetidin-3-yl-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.
What is the SMILES notation for azetidin-3-yl-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The canonical SMILES for azetidin-3-yl-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is COCC1=CCN(C(=O)C2CNC2)CC1.
What is the InChIKey of azetidin-3-yl-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The InChIKey is IALYIXYNHHIVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-15-8-9-2-4-13(5-3-9)11(14)10-6-12-7-10/h2,10,12H,3-8H2,1H3.
What are the key properties of azetidin-3-yl-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
azetidin-3-yl-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone has a molecular weight of 210.28 g/mol, XLogP of 0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-3-yl-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is sourced from PubChem (CID 114409778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).