1-[4-(6-bicyclo[3.2.0]hept-3-enylamino)piperidin-1-yl]-2-methoxyethanone

C15H24N2O2 — CID 43791430

IUPAC1-[4-(6-bicyclo[3.2.0]hept-3-enylamino)piperidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC(NC2CC3CC=CC32)CC1
InChIInChI=1S/C15H24N2O2/c1-19-10-15(18)17-7-5-12(6-8-17)16-14-9-11-3-2-4-13(11)14/h2,4,11-14,16H,3,5-10H2,1H3
InChIKeyRJJVUOFVVAVHLR-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.18
Rot. Bonds4

About 1-[4-(6-bicyclo[3.2.0]hept-3-enylamino)piperidin-1-yl]-2-methoxyethanone

1-[4-(6-bicyclo[3.2.0]hept-3-enylamino)piperidin-1-yl]-2-methoxyethanone (PubChem CID 43791430) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[4-(6-bicyclo[3.2.0]hept-3-enylamino)piperidin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[4-(6-bicyclo[3.2.0]hept-3-enylamino)piperidin-1-yl]-2-methoxyethanone
PubChem CID43791430
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-[4-(6-bicyclo[3.2.0]hept-3-enylamino)piperidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC(NC2CC3CC=CC32)CC1
InChIInChI=1S/C15H24N2O2/c1-19-10-15(18)17-7-5-12(6-8-17)16-14-9-11-3-2-4-13(11)14/h2,4,11-14,16H,3,5-10H2,1H3
InChIKeyRJJVUOFVVAVHLR-UHFFFAOYSA-N
XLogP1.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-bicyclo[3.2.0]hept-3-enylamino)piperidin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[4-(6-bicyclo[3.2.0]hept-3-enylamino)piperidin-1-yl]-2-methoxyethanone (CID 43791430) is 1-[4-(6-bicyclo[3.2.0]hept-3-enylamino)piperidin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[4-(6-bicyclo[3.2.0]hept-3-enylamino)piperidin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[4-(6-bicyclo[3.2.0]hept-3-enylamino)piperidin-1-yl]-2-methoxyethanone is COCC(=O)N1CCC(NC2CC3CC=CC32)CC1.
What is the InChIKey of 1-[4-(6-bicyclo[3.2.0]hept-3-enylamino)piperidin-1-yl]-2-methoxyethanone?
The InChIKey is RJJVUOFVVAVHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-19-10-15(18)17-7-5-12(6-8-17)16-14-9-11-3-2-4-13(11)14/h2,4,11-14,16H,3,5-10H2,1H3.
What are the key properties of 1-[4-(6-bicyclo[3.2.0]hept-3-enylamino)piperidin-1-yl]-2-methoxyethanone?
1-[4-(6-bicyclo[3.2.0]hept-3-enylamino)piperidin-1-yl]-2-methoxyethanone has a molecular weight of 264.37 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-bicyclo[3.2.0]hept-3-enylamino)piperidin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 43791430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).