1-[3-(azetidin-3-yl)piperidin-1-yl]ethanone

C10H18N2O — CID 166469294

IUPAC1-[3-(azetidin-3-yl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(C2CNC2)C1
InChIInChI=1S/C10H18N2O/c1-8(13)12-4-2-3-9(7-12)10-5-11-6-10/h9-11H,2-7H2,1H3
InChIKeyFYKFWCBXLUYKPJ-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.46
Rot. Bonds1

About 1-[3-(azetidin-3-yl)piperidin-1-yl]ethanone

1-[3-(azetidin-3-yl)piperidin-1-yl]ethanone (PubChem CID 166469294) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 1-[3-(azetidin-3-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-(azetidin-3-yl)piperidin-1-yl]ethanone
PubChem CID166469294
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name1-[3-(azetidin-3-yl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(C2CNC2)C1
InChIInChI=1S/C10H18N2O/c1-8(13)12-4-2-3-9(7-12)10-5-11-6-10/h9-11H,2-7H2,1H3
InChIKeyFYKFWCBXLUYKPJ-UHFFFAOYSA-N
XLogP0.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-cyclopentylpiperidin-1-yl)ethanone
CID 91592675
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]ethanone
CID 126758675
1-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]ethanone;dihydrochloride
CID 119032040
1-[3-[(2R,5S)-5-methylpiperidin-2-yl]piperidin-1-yl]ethanone
CID 164751842
ethane;1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 176561282
ethane;1-(3-methylpiperidin-1-yl)ethanone
CID 91356589
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(piperidin-1-yl)methanone
CID 79155027
[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(3-methylpiperidin-1-yl)methanone
CID 79162739
1-(3-hydroxypiperidin-1-yl)ethanone;methanethiol
CID 143678194
1-acetylpiperidine-3-carboxylic acid
CID 14043896
1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethanone
CID 73102563
(3S)-1-acetylpiperidine-3-carboxylate
CID 7131083

Frequently Asked Questions

What is the IUPAC name of 1-[3-(azetidin-3-yl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[3-(azetidin-3-yl)piperidin-1-yl]ethanone (CID 166469294) is 1-[3-(azetidin-3-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-(azetidin-3-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[3-(azetidin-3-yl)piperidin-1-yl]ethanone is CC(=O)N1CCCC(C2CNC2)C1.
What is the InChIKey of 1-[3-(azetidin-3-yl)piperidin-1-yl]ethanone?
The InChIKey is FYKFWCBXLUYKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-8(13)12-4-2-3-9(7-12)10-5-11-6-10/h9-11H,2-7H2,1H3.
What are the key properties of 1-[3-(azetidin-3-yl)piperidin-1-yl]ethanone?
1-[3-(azetidin-3-yl)piperidin-1-yl]ethanone has a molecular weight of 182.27 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(azetidin-3-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 166469294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).