1-[4-[(1-methylazetidin-3-yl)methoxy]piperidin-1-yl]propan-2-one

C13H24N2O2 — CID 171800198

IUPAC1-[4-[(1-methylazetidin-3-yl)methoxy]piperidin-1-yl]propan-2-one
SMILESCC(=O)CN1CCC(OCC2CN(C)C2)CC1
InChIInChI=1S/C13H24N2O2/c1-11(16)7-15-5-3-13(4-6-15)17-10-12-8-14(2)9-12/h12-13H,3-10H2,1-2H3
InChIKeyKPRURXWEIKTUGZ-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.62
Rot. Bonds5

About 1-[4-[(1-methylazetidin-3-yl)methoxy]piperidin-1-yl]propan-2-one

1-[4-[(1-methylazetidin-3-yl)methoxy]piperidin-1-yl]propan-2-one (PubChem CID 171800198) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-[4-[(1-methylazetidin-3-yl)methoxy]piperidin-1-yl]propan-2-one.

Molecular Properties

Compound Name1-[4-[(1-methylazetidin-3-yl)methoxy]piperidin-1-yl]propan-2-one
PubChem CID171800198
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-[4-[(1-methylazetidin-3-yl)methoxy]piperidin-1-yl]propan-2-one
SMILESCC(=O)CN1CCC(OCC2CN(C)C2)CC1
InChIInChI=1S/C13H24N2O2/c1-11(16)7-15-5-3-13(4-6-15)17-10-12-8-14(2)9-12/h12-13H,3-10H2,1-2H3
InChIKeyKPRURXWEIKTUGZ-UHFFFAOYSA-N
XLogP0.62
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Methoxypiperidin-1-yl)propan-2-one
CID 43233675
1-(4-Methoxypiperidin-1-yl)-3-methylbutan-2-one
CID 79395912
CID 140659629
CID 140659629
1-(4-Propoxypiperidin-1-yl)propan-2-one
CID 155331343
1-[4-[(2-Methylpropan-2-yl)oxy]piperidin-1-yl]propan-2-one
CID 169850501
1-(4-Propan-2-yloxypiperidin-1-yl)propan-2-one
CID 169850571
3-Methyl-1-[3-[(1-methylpiperidin-4-yl)oxymethyl]azetidin-1-yl]butan-2-one
CID 171799934
Ethane;1-[4-[(1-methylazetidin-3-yl)methoxy]piperidin-1-yl]propan-2-one
CID 171800197
1-Methyl-4-[(1-methylazetidin-3-yl)methoxy]piperidine
CID 174253232
1-[4-[2-[Ethyl(methyl)amino]ethoxy]piperidin-1-yl]-3-methylbutan-2-one
CID 176579197
2-Piperidin-1-yl-1-[3-(propan-2-yloxymethyl)azetidin-1-yl]ethanone
CID 177010651
1-(4-Ethoxypiperidin-1-yl)propan-2-one
CID 61216496

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1-methylazetidin-3-yl)methoxy]piperidin-1-yl]propan-2-one?
The IUPAC name of 1-[4-[(1-methylazetidin-3-yl)methoxy]piperidin-1-yl]propan-2-one (CID 171800198) is 1-[4-[(1-methylazetidin-3-yl)methoxy]piperidin-1-yl]propan-2-one.
What is the SMILES notation for 1-[4-[(1-methylazetidin-3-yl)methoxy]piperidin-1-yl]propan-2-one?
The canonical SMILES for 1-[4-[(1-methylazetidin-3-yl)methoxy]piperidin-1-yl]propan-2-one is CC(=O)CN1CCC(OCC2CN(C)C2)CC1.
What is the InChIKey of 1-[4-[(1-methylazetidin-3-yl)methoxy]piperidin-1-yl]propan-2-one?
The InChIKey is KPRURXWEIKTUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-11(16)7-15-5-3-13(4-6-15)17-10-12-8-14(2)9-12/h12-13H,3-10H2,1-2H3.
What are the key properties of 1-[4-[(1-methylazetidin-3-yl)methoxy]piperidin-1-yl]propan-2-one?
1-[4-[(1-methylazetidin-3-yl)methoxy]piperidin-1-yl]propan-2-one has a molecular weight of 240.35 g/mol, XLogP of 0.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1-methylazetidin-3-yl)methoxy]piperidin-1-yl]propan-2-one is sourced from PubChem (CID 171800198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).