1-(azetidin-1-yl)-2-(3-hydroxy-4-methylpiperidin-1-yl)ethanone

C11H20N2O2 — CID 103898098

IUPAC1-(azetidin-1-yl)-2-(3-hydroxy-4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(CC(=O)N2CCC2)CC1O
InChIInChI=1S/C11H20N2O2/c1-9-3-6-12(7-10(9)14)8-11(15)13-4-2-5-13/h9-10,14H,2-8H2,1H3
InChIKeyHAIKZEOSWGADOR-UHFFFAOYSA-N
MW212.29 g/mol
LogP-0.08
Rot. Bonds2

About 1-(azetidin-1-yl)-2-(3-hydroxy-4-methylpiperidin-1-yl)ethanone

1-(azetidin-1-yl)-2-(3-hydroxy-4-methylpiperidin-1-yl)ethanone (PubChem CID 103898098) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-(azetidin-1-yl)-2-(3-hydroxy-4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(azetidin-1-yl)-2-(3-hydroxy-4-methylpiperidin-1-yl)ethanone
PubChem CID103898098
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name1-(azetidin-1-yl)-2-(3-hydroxy-4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(CC(=O)N2CCC2)CC1O
InChIInChI=1S/C11H20N2O2/c1-9-3-6-12(7-10(9)14)8-11(15)13-4-2-5-13/h9-10,14H,2-8H2,1H3
InChIKeyHAIKZEOSWGADOR-UHFFFAOYSA-N
XLogP-0.08
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azepan-1-yl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
CID 78962281
1-(azocan-1-yl)-2-(3-hydroxypyrrolidin-1-yl)ethanone
CID 62917489
2-(3-hydroxypiperidin-1-yl)-1-pyrrolidin-1-ylethanone
CID 60645203
2-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]prop-2-enoic acid
CID 102959425
2-(4-methylpiperidin-1-yl)-1-pyrrolidin-1-ylethanone
CID 39903910
1-(azepan-1-yl)-2-[(3R)-3-hydroxypiperidin-1-yl]ethanone
CID 129367078
1-(azocan-1-yl)-2-[(3S)-3-hydroxypiperidin-1-yl]ethanone
CID 107226024
1-(3,5-dimethylpiperidin-1-yl)-2-(3-hydroxypyrrolidin-1-yl)ethanone
CID 62916112
4-(3-hydroxy-4-methylpiperidin-1-yl)-3-methylbut-2-enoic acid
CID 102959453
N-(cyclopropylcarbamoyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)acetamide
CID 103898008
2-[(3R)-3-aminopyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 94340668
2-[3-(dimethylamino)pyrrolidin-1-yl]-1-piperidin-1-ylethanone
CID 175826880

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-1-yl)-2-(3-hydroxy-4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 1-(azetidin-1-yl)-2-(3-hydroxy-4-methylpiperidin-1-yl)ethanone (CID 103898098) is 1-(azetidin-1-yl)-2-(3-hydroxy-4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(azetidin-1-yl)-2-(3-hydroxy-4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-(azetidin-1-yl)-2-(3-hydroxy-4-methylpiperidin-1-yl)ethanone is CC1CCN(CC(=O)N2CCC2)CC1O.
What is the InChIKey of 1-(azetidin-1-yl)-2-(3-hydroxy-4-methylpiperidin-1-yl)ethanone?
The InChIKey is HAIKZEOSWGADOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-9-3-6-12(7-10(9)14)8-11(15)13-4-2-5-13/h9-10,14H,2-8H2,1H3.
What are the key properties of 1-(azetidin-1-yl)-2-(3-hydroxy-4-methylpiperidin-1-yl)ethanone?
1-(azetidin-1-yl)-2-(3-hydroxy-4-methylpiperidin-1-yl)ethanone has a molecular weight of 212.29 g/mol, XLogP of -0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-1-yl)-2-(3-hydroxy-4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 103898098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).