1-[(3R)-1-acetylpiperidin-3-yl]ethanone

C9H15NO2 — CID 59091272

IUPAC1-[(3R)-1-acetylpiperidin-3-yl]ethanone
SMILESCC(=O)[C@@H]1CCCN(C(C)=O)C1
InChIInChI=1S/C9H15NO2/c1-7(11)9-4-3-5-10(6-9)8(2)12/h9H,3-6H2,1-2H3/t9-/m1/s1
InChIKeyDMKISLORBHMKAP-SECBINFHSA-N
MW169.22 g/mol
LogP0.83
Rot. Bonds1

About 1-[(3R)-1-acetylpiperidin-3-yl]ethanone

1-[(3R)-1-acetylpiperidin-3-yl]ethanone (PubChem CID 59091272) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 1-[(3R)-1-acetylpiperidin-3-yl]ethanone.

Molecular Properties

Compound Name1-[(3R)-1-acetylpiperidin-3-yl]ethanone
PubChem CID59091272
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name1-[(3R)-1-acetylpiperidin-3-yl]ethanone
SMILESCC(=O)[C@@H]1CCCN(C(C)=O)C1
InChIInChI=1S/C9H15NO2/c1-7(11)9-4-3-5-10(6-9)8(2)12/h9H,3-6H2,1-2H3/t9-/m1/s1
InChIKeyDMKISLORBHMKAP-SECBINFHSA-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-[(3R)-1-acetylpiperidin-3-yl]ethanone?
The IUPAC name of 1-[(3R)-1-acetylpiperidin-3-yl]ethanone (CID 59091272) is 1-[(3R)-1-acetylpiperidin-3-yl]ethanone.
What is the SMILES notation for 1-[(3R)-1-acetylpiperidin-3-yl]ethanone?
The canonical SMILES for 1-[(3R)-1-acetylpiperidin-3-yl]ethanone is CC(=O)[C@@H]1CCCN(C(C)=O)C1.
What is the InChIKey of 1-[(3R)-1-acetylpiperidin-3-yl]ethanone?
The InChIKey is DMKISLORBHMKAP-SECBINFHSA-N. The full InChI is InChI=1S/C9H15NO2/c1-7(11)9-4-3-5-10(6-9)8(2)12/h9H,3-6H2,1-2H3/t9-/m1/s1.
What are the key properties of 1-[(3R)-1-acetylpiperidin-3-yl]ethanone?
1-[(3R)-1-acetylpiperidin-3-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-[(3R)-1-acetylpiperidin-3-yl]ethanone is sourced from PubChem (CID 59091272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).