1-piperidin-1-yldeca-2,4-diene-1,6-dione

C15H23NO2 — CID 72790044

IUPAC1-piperidin-1-yldeca-2,4-diene-1,6-dione
SMILESCCCCC(=O)C=CC=CC(=O)N1CCCCC1
InChIInChI=1S/C15H23NO2/c1-2-3-9-14(17)10-5-6-11-15(18)16-12-7-4-8-13-16/h5-6,10-11H,2-4,7-9,12-13H2,1H3
InChIKeyWSNYQSDXCCPJJP-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.87
Rot. Bonds6

About 1-piperidin-1-yldeca-2,4-diene-1,6-dione

1-piperidin-1-yldeca-2,4-diene-1,6-dione (PubChem CID 72790044) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-piperidin-1-yldeca-2,4-diene-1,6-dione.

Molecular Properties

Compound Name1-piperidin-1-yldeca-2,4-diene-1,6-dione
PubChem CID72790044
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-piperidin-1-yldeca-2,4-diene-1,6-dione
SMILESCCCCC(=O)C=CC=CC(=O)N1CCCCC1
InChIInChI=1S/C15H23NO2/c1-2-3-9-14(17)10-5-6-11-15(18)16-12-7-4-8-13-16/h5-6,10-11H,2-4,7-9,12-13H2,1H3
InChIKeyWSNYQSDXCCPJJP-UHFFFAOYSA-N
XLogP2.87
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yldeca-2,4-diene-1,6-dione?
The IUPAC name of 1-piperidin-1-yldeca-2,4-diene-1,6-dione (CID 72790044) is 1-piperidin-1-yldeca-2,4-diene-1,6-dione.
What is the SMILES notation for 1-piperidin-1-yldeca-2,4-diene-1,6-dione?
The canonical SMILES for 1-piperidin-1-yldeca-2,4-diene-1,6-dione is CCCCC(=O)C=CC=CC(=O)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-yldeca-2,4-diene-1,6-dione?
The InChIKey is WSNYQSDXCCPJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-2-3-9-14(17)10-5-6-11-15(18)16-12-7-4-8-13-16/h5-6,10-11H,2-4,7-9,12-13H2,1H3.
What are the key properties of 1-piperidin-1-yldeca-2,4-diene-1,6-dione?
1-piperidin-1-yldeca-2,4-diene-1,6-dione has a molecular weight of 249.35 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yldeca-2,4-diene-1,6-dione is sourced from PubChem (CID 72790044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).