1-(1-acetylpiperidin-4-yl)-3-methylbutan-1-one

C12H21NO2 — CID 58170190

IUPAC1-(1-acetylpiperidin-4-yl)-3-methylbutan-1-one
SMILESCC(=O)N1CCC(C(=O)CC(C)C)CC1
InChIInChI=1S/C12H21NO2/c1-9(2)8-12(15)11-4-6-13(7-5-11)10(3)14/h9,11H,4-8H2,1-3H3
InChIKeyXCNFMVYLJVIKMK-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.86
Rot. Bonds3

About 1-(1-acetylpiperidin-4-yl)-3-methylbutan-1-one

1-(1-acetylpiperidin-4-yl)-3-methylbutan-1-one (PubChem CID 58170190) has the molecular formula C12H21NO2 and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-(1-acetylpiperidin-4-yl)-3-methylbutan-1-one.

Molecular Properties

Compound Name1-(1-acetylpiperidin-4-yl)-3-methylbutan-1-one
PubChem CID58170190
Molecular FormulaC12H21NO2
Molecular Weight211.31 g/mol
Exact Mass211.16
IUPAC Name1-(1-acetylpiperidin-4-yl)-3-methylbutan-1-one
SMILESCC(=O)N1CCC(C(=O)CC(C)C)CC1
InChIInChI=1S/C12H21NO2/c1-9(2)8-12(15)11-4-6-13(7-5-11)10(3)14/h9,11H,4-8H2,1-3H3
InChIKeyXCNFMVYLJVIKMK-UHFFFAOYSA-N
XLogP1.86
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.86
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)-3-methylbutan-1-one?
The IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-methylbutan-1-one (CID 58170190) is 1-(1-acetylpiperidin-4-yl)-3-methylbutan-1-one.
What is the SMILES notation for 1-(1-acetylpiperidin-4-yl)-3-methylbutan-1-one?
The canonical SMILES for 1-(1-acetylpiperidin-4-yl)-3-methylbutan-1-one is CC(=O)N1CCC(C(=O)CC(C)C)CC1.
What is the InChIKey of 1-(1-acetylpiperidin-4-yl)-3-methylbutan-1-one?
The InChIKey is XCNFMVYLJVIKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-9(2)8-12(15)11-4-6-13(7-5-11)10(3)14/h9,11H,4-8H2,1-3H3.
What are the key properties of 1-(1-acetylpiperidin-4-yl)-3-methylbutan-1-one?
1-(1-acetylpiperidin-4-yl)-3-methylbutan-1-one has a molecular weight of 211.31 g/mol, XLogP of 1.86, 3 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)-3-methylbutan-1-one is sourced from PubChem (CID 58170190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).