1-[3-(1-methylpiperidin-3-yl)oxetan-3-yl]ethanone

C11H19NO2 — CID 116873792

IUPAC1-[3-(1-methylpiperidin-3-yl)oxetan-3-yl]ethanone
SMILESCC(=O)C1(C2CCCN(C)C2)COC1
InChIInChI=1S/C11H19NO2/c1-9(13)11(7-14-8-11)10-4-3-5-12(2)6-10/h10H,3-8H2,1-2H3
InChIKeyHVPMSAOSEQUJQS-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.93
Rot. Bonds2

About 1-[3-(1-methylpiperidin-3-yl)oxetan-3-yl]ethanone

1-[3-(1-methylpiperidin-3-yl)oxetan-3-yl]ethanone (PubChem CID 116873792) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-[3-(1-methylpiperidin-3-yl)oxetan-3-yl]ethanone.

Molecular Properties

Compound Name1-[3-(1-methylpiperidin-3-yl)oxetan-3-yl]ethanone
PubChem CID116873792
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name1-[3-(1-methylpiperidin-3-yl)oxetan-3-yl]ethanone
SMILESCC(=O)C1(C2CCCN(C)C2)COC1
InChIInChI=1S/C11H19NO2/c1-9(13)11(7-14-8-11)10-4-3-5-12(2)6-10/h10H,3-8H2,1-2H3
InChIKeyHVPMSAOSEQUJQS-UHFFFAOYSA-N
XLogP0.93
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methylpiperidin-3-yl)cyclopropane-1-carboxylic acid
CID 82407097
4-(1-methylpiperidin-3-yl)oxane-4-carbohydrazide
CID 116844613
1-[3-(1-methylpyrrolidin-3-yl)oxetan-3-yl]cyclobutane-1-carboxylic acid
CID 116874999
1-(1-methylpiperidin-3-yl)cyclobutan-1-ol
CID 115073858
2,2-dimethyl-3-[3-(1-methylpiperidin-3-yl)oxetan-3-yl]propan-1-amine
CID 116870438
2,4,4-trimethyl-2-(1-methylpiperidin-3-yl)-1,3-oxazolidine;hydrochloride
CID 117227847
6-methyl-6-(1-methylpiperidin-3-yl)morpholin-3-one
CID 117159064
3-[dimethylamino-(1-methylpiperidin-3-yl)methyl]oxetane-3-carboxylic acid
CID 116912908
ethane;1-(1-methylpyrrolidin-3-yl)cyclopropane-1-carboxamide
CID 91609044
N,1-dimethylpiperidin-3-amine;propan-2-one
CID 91110741
methyl 2-methyl-2-[3-(1-methylpyrrolidin-3-yl)oxetan-3-yl]propanoate
CID 116873622
2-methyl-1-(1-methylpiperidin-3-yl)cyclopropan-1-amine
CID 84653235

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-methylpiperidin-3-yl)oxetan-3-yl]ethanone?
The IUPAC name of 1-[3-(1-methylpiperidin-3-yl)oxetan-3-yl]ethanone (CID 116873792) is 1-[3-(1-methylpiperidin-3-yl)oxetan-3-yl]ethanone.
What is the SMILES notation for 1-[3-(1-methylpiperidin-3-yl)oxetan-3-yl]ethanone?
The canonical SMILES for 1-[3-(1-methylpiperidin-3-yl)oxetan-3-yl]ethanone is CC(=O)C1(C2CCCN(C)C2)COC1.
What is the InChIKey of 1-[3-(1-methylpiperidin-3-yl)oxetan-3-yl]ethanone?
The InChIKey is HVPMSAOSEQUJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-9(13)11(7-14-8-11)10-4-3-5-12(2)6-10/h10H,3-8H2,1-2H3.
What are the key properties of 1-[3-(1-methylpiperidin-3-yl)oxetan-3-yl]ethanone?
1-[3-(1-methylpiperidin-3-yl)oxetan-3-yl]ethanone has a molecular weight of 197.28 g/mol, XLogP of 0.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-methylpiperidin-3-yl)oxetan-3-yl]ethanone is sourced from PubChem (CID 116873792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).