1-(2-bicyclo[4.2.0]oct-7-enyl)-3-piperidin-1-ylpropan-1-one

C16H25NO — CID 89351585

IUPAC1-(2-bicyclo[4.2.0]oct-7-enyl)-3-piperidin-1-ylpropan-1-one
SMILESO=C(CCN1CCCCC1)C1CCCC2C=CC21
InChIInChI=1S/C16H25NO/c18-16(9-12-17-10-2-1-3-11-17)15-6-4-5-13-7-8-14(13)15/h7-8,13-15H,1-6,9-12H2
InChIKeyYWPUXQVAUPFGCG-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.03
Rot. Bonds4

About 1-(2-bicyclo[4.2.0]oct-7-enyl)-3-piperidin-1-ylpropan-1-one

1-(2-bicyclo[4.2.0]oct-7-enyl)-3-piperidin-1-ylpropan-1-one (PubChem CID 89351585) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-(2-bicyclo[4.2.0]oct-7-enyl)-3-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(2-bicyclo[4.2.0]oct-7-enyl)-3-piperidin-1-ylpropan-1-one
PubChem CID89351585
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-(2-bicyclo[4.2.0]oct-7-enyl)-3-piperidin-1-ylpropan-1-one
SMILESO=C(CCN1CCCCC1)C1CCCC2C=CC21
InChIInChI=1S/C16H25NO/c18-16(9-12-17-10-2-1-3-11-17)15-6-4-5-13-7-8-14(13)15/h7-8,13-15H,1-6,9-12H2
InChIKeyYWPUXQVAUPFGCG-UHFFFAOYSA-N
XLogP3.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2-bicyclo[4.2.0]oct-7-enyl)-3-piperidin-1-ylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[4.2.0]oct-7-enyl)-3-piperidin-1-ylpropan-1-one?
The IUPAC name of 1-(2-bicyclo[4.2.0]oct-7-enyl)-3-piperidin-1-ylpropan-1-one (CID 89351585) is 1-(2-bicyclo[4.2.0]oct-7-enyl)-3-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 1-(2-bicyclo[4.2.0]oct-7-enyl)-3-piperidin-1-ylpropan-1-one?
The canonical SMILES for 1-(2-bicyclo[4.2.0]oct-7-enyl)-3-piperidin-1-ylpropan-1-one is O=C(CCN1CCCCC1)C1CCCC2C=CC21.
What is the InChIKey of 1-(2-bicyclo[4.2.0]oct-7-enyl)-3-piperidin-1-ylpropan-1-one?
The InChIKey is YWPUXQVAUPFGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c18-16(9-12-17-10-2-1-3-11-17)15-6-4-5-13-7-8-14(13)15/h7-8,13-15H,1-6,9-12H2.
What are the key properties of 1-(2-bicyclo[4.2.0]oct-7-enyl)-3-piperidin-1-ylpropan-1-one?
1-(2-bicyclo[4.2.0]oct-7-enyl)-3-piperidin-1-ylpropan-1-one has a molecular weight of 247.38 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[4.2.0]oct-7-enyl)-3-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 89351585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).