1-(1-acetylpiperidin-4-yl)ethanone

C9H15NO2 — CID 2777250

IUPAC1-(1-acetylpiperidin-4-yl)ethanone
SMILESCC(=O)C1CCN(C(C)=O)CC1
InChIInChI=1S/C9H15NO2/c1-7(11)9-3-5-10(6-4-9)8(2)12/h9H,3-6H2,1-2H3
InChIKeyVFZXZEJGLKOTBW-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.83
Rot. Bonds1

About 1-(1-acetylpiperidin-4-yl)ethanone

1-(1-acetylpiperidin-4-yl)ethanone (PubChem CID 2777250) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 1-(1-acetylpiperidin-4-yl)ethanone.

Molecular Properties

Compound Name1-(1-acetylpiperidin-4-yl)ethanone
PubChem CID2777250
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name1-(1-acetylpiperidin-4-yl)ethanone
SMILESCC(=O)C1CCN(C(C)=O)CC1
InChIInChI=1S/C9H15NO2/c1-7(11)9-3-5-10(6-4-9)8(2)12/h9H,3-6H2,1-2H3
InChIKeyVFZXZEJGLKOTBW-UHFFFAOYSA-N
XLogP0.83
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylpiperidin-4-yl)ethanone?
The IUPAC name of 1-(1-acetylpiperidin-4-yl)ethanone (CID 2777250) is 1-(1-acetylpiperidin-4-yl)ethanone.
What is the SMILES notation for 1-(1-acetylpiperidin-4-yl)ethanone?
The canonical SMILES for 1-(1-acetylpiperidin-4-yl)ethanone is CC(=O)C1CCN(C(C)=O)CC1.
What is the InChIKey of 1-(1-acetylpiperidin-4-yl)ethanone?
The InChIKey is VFZXZEJGLKOTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-7(11)9-3-5-10(6-4-9)8(2)12/h9H,3-6H2,1-2H3.
What are the key properties of 1-(1-acetylpiperidin-4-yl)ethanone?
1-(1-acetylpiperidin-4-yl)ethanone has a molecular weight of 169.22 g/mol, XLogP of 0.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylpiperidin-4-yl)ethanone is sourced from PubChem (CID 2777250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).