8-piperidin-2-yl-7,9-diazaspiro[4.5]dec-8-ene-6,10-dione

C13H19N3O2 — CID 79501084

IUPAC8-piperidin-2-yl-7,9-diazaspiro[4.5]dec-8-ene-6,10-dione
SMILESO=C1N=C(C2CCCCN2)NC(=O)C12CCCC2
InChIInChI=1S/C13H19N3O2/c17-11-13(6-2-3-7-13)12(18)16-10(15-11)9-5-1-4-8-14-9/h9,14H,1-8H2,(H,15,16,17,18)
InChIKeyYQVGKQGJVHJDFC-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.74
Rot. Bonds1

About 8-piperidin-2-yl-7,9-diazaspiro[4.5]dec-8-ene-6,10-dione

8-piperidin-2-yl-7,9-diazaspiro[4.5]dec-8-ene-6,10-dione (PubChem CID 79501084) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 8-piperidin-2-yl-7,9-diazaspiro[4.5]dec-8-ene-6,10-dione.

Molecular Properties

Compound Name8-piperidin-2-yl-7,9-diazaspiro[4.5]dec-8-ene-6,10-dione
PubChem CID79501084
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name8-piperidin-2-yl-7,9-diazaspiro[4.5]dec-8-ene-6,10-dione
SMILESO=C1N=C(C2CCCCN2)NC(=O)C12CCCC2
InChIInChI=1S/C13H19N3O2/c17-11-13(6-2-3-7-13)12(18)16-10(15-11)9-5-1-4-8-14-9/h9,14H,1-8H2,(H,15,16,17,18)
InChIKeyYQVGKQGJVHJDFC-UHFFFAOYSA-N
XLogP0.74
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-piperidin-2-yl-7,9-diazaspiro[4.5]dec-8-ene-6,10-dione?
The IUPAC name of 8-piperidin-2-yl-7,9-diazaspiro[4.5]dec-8-ene-6,10-dione (CID 79501084) is 8-piperidin-2-yl-7,9-diazaspiro[4.5]dec-8-ene-6,10-dione.
What is the SMILES notation for 8-piperidin-2-yl-7,9-diazaspiro[4.5]dec-8-ene-6,10-dione?
The canonical SMILES for 8-piperidin-2-yl-7,9-diazaspiro[4.5]dec-8-ene-6,10-dione is O=C1N=C(C2CCCCN2)NC(=O)C12CCCC2.
What is the InChIKey of 8-piperidin-2-yl-7,9-diazaspiro[4.5]dec-8-ene-6,10-dione?
The InChIKey is YQVGKQGJVHJDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c17-11-13(6-2-3-7-13)12(18)16-10(15-11)9-5-1-4-8-14-9/h9,14H,1-8H2,(H,15,16,17,18).
What are the key properties of 8-piperidin-2-yl-7,9-diazaspiro[4.5]dec-8-ene-6,10-dione?
8-piperidin-2-yl-7,9-diazaspiro[4.5]dec-8-ene-6,10-dione has a molecular weight of 249.31 g/mol, XLogP of 0.74, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-piperidin-2-yl-7,9-diazaspiro[4.5]dec-8-ene-6,10-dione is sourced from PubChem (CID 79501084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).