1-(6-buta-1,3-dienylpiperidin-2-yl)ethanone

C11H17NO — CID 123382583

IUPAC1-(6-buta-1,3-dienylpiperidin-2-yl)ethanone
SMILESC=CC=CC1CCCC(C(C)=O)N1
InChIInChI=1S/C11H17NO/c1-3-4-6-10-7-5-8-11(12-10)9(2)13/h3-4,6,10-12H,1,5,7-8H2,2H3
InChIKeyCWOAQOBXUCIEKL-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.83
Rot. Bonds3

About 1-(6-buta-1,3-dienylpiperidin-2-yl)ethanone

1-(6-buta-1,3-dienylpiperidin-2-yl)ethanone (PubChem CID 123382583) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 1-(6-buta-1,3-dienylpiperidin-2-yl)ethanone.

Molecular Properties

Compound Name1-(6-buta-1,3-dienylpiperidin-2-yl)ethanone
PubChem CID123382583
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name1-(6-buta-1,3-dienylpiperidin-2-yl)ethanone
SMILESC=CC=CC1CCCC(C(C)=O)N1
InChIInChI=1S/C11H17NO/c1-3-4-6-10-7-5-8-11(12-10)9(2)13/h3-4,6,10-12H,1,5,7-8H2,2H3
InChIKeyCWOAQOBXUCIEKL-UHFFFAOYSA-N
XLogP1.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(6-buta-1,3-dienylpiperidin-2-yl)ethanone?
The IUPAC name of 1-(6-buta-1,3-dienylpiperidin-2-yl)ethanone (CID 123382583) is 1-(6-buta-1,3-dienylpiperidin-2-yl)ethanone.
What is the SMILES notation for 1-(6-buta-1,3-dienylpiperidin-2-yl)ethanone?
The canonical SMILES for 1-(6-buta-1,3-dienylpiperidin-2-yl)ethanone is C=CC=CC1CCCC(C(C)=O)N1.
What is the InChIKey of 1-(6-buta-1,3-dienylpiperidin-2-yl)ethanone?
The InChIKey is CWOAQOBXUCIEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-3-4-6-10-7-5-8-11(12-10)9(2)13/h3-4,6,10-12H,1,5,7-8H2,2H3.
What are the key properties of 1-(6-buta-1,3-dienylpiperidin-2-yl)ethanone?
1-(6-buta-1,3-dienylpiperidin-2-yl)ethanone has a molecular weight of 179.26 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-buta-1,3-dienylpiperidin-2-yl)ethanone is sourced from PubChem (CID 123382583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).