6-piperidin-4-yl-4,6-diazaspiro[2.4]heptane-5,7-dione

C₁₀H₁₅N₃O₂ — CID 82395106

About 6-piperidin-4-yl-4,6-diazaspiro[2.4]heptane-5,7-dione

6-piperidin-4-yl-4,6-diazaspiro[2.4]heptane-5,7-dione (PubChem CID 82395106) has the molecular formula C₁₀H₁₅N₃O₂ and a molecular weight of 209.25 g/mol. Its IUPAC name is 6-piperidin-4-yl-4,6-diazaspiro[2.4]heptane-5,7-dione.

Molecular Properties

• Compound Name: 6-piperidin-4-yl-4,6-diazaspiro[2.4]heptane-5,7-dione
• PubChem CID: 82395106
• Molecular Formula: C₁₀H₁₅N₃O₂
• Molecular Weight: 209.25 g/mol
• Exact Mass: 209.12
• IUPAC Name: 6-piperidin-4-yl-4,6-diazaspiro[2.4]heptane-5,7-dione
• SMILES: O=C1NC2(CC2)C(=O)N1C1CCNCC1
• InChI: InChI=1S/C10H15N3O2/c14-8-10(3-4-10)12-9(15)13(8)7-1-5-11-6-2-7/h7,11H,1-6H2,(H,12,15)
• InChIKey: DYTUCXSULPHXLJ-UHFFFAOYSA-N
• XLogP: -0.18
• TPSA: 61.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	209.25
LogP ≤ 5	-0.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-piperidin-4-yl-4,6-diazaspiro[2.4]heptane-5,7-dione?

The IUPAC name of 6-piperidin-4-yl-4,6-diazaspiro[2.4]heptane-5,7-dione (CID 82395106) is 6-piperidin-4-yl-4,6-diazaspiro[2.4]heptane-5,7-dione.

What is the SMILES notation for 6-piperidin-4-yl-4,6-diazaspiro[2.4]heptane-5,7-dione?

The canonical SMILES for 6-piperidin-4-yl-4,6-diazaspiro[2.4]heptane-5,7-dione is O=C1NC2(CC2)C(=O)N1C1CCNCC1.

What is the InChIKey of 6-piperidin-4-yl-4,6-diazaspiro[2.4]heptane-5,7-dione?

The InChIKey is DYTUCXSULPHXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c14-8-10(3-4-10)12-9(15)13(8)7-1-5-11-6-2-7/h7,11H,1-6H2,(H,12,15).

What are the key properties of 6-piperidin-4-yl-4,6-diazaspiro[2.4]heptane-5,7-dione?

6-piperidin-4-yl-4,6-diazaspiro[2.4]heptane-5,7-dione has a molecular weight of 209.25 g/mol, XLogP of -0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6-piperidin-4-yl-4,6-diazaspiro[2.4]heptane-5,7-dione is sourced from PubChem (CID 82395106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 82395106 — identifiers, structure, computed properties (public domain)

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