8-benzyl-3-[1-(pyrazine-2-carbonyl)piperidin-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

C24H28N6O3 — CID 110084297

About 8-benzyl-3-[1-(pyrazine-2-carbonyl)piperidin-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-benzyl-3-[1-(pyrazine-2-carbonyl)piperidin-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 110084297) has the molecular formula C24H28N6O3 and a molecular weight of 448.53 g/mol. Its IUPAC name is 8-benzyl-3-[1-(pyrazine-2-carbonyl)piperidin-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

• Compound Name: 8-benzyl-3-[1-(pyrazine-2-carbonyl)piperidin-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
• PubChem CID: 110084297
• Molecular Formula: C24H28N6O3
• Molecular Weight: 448.53 g/mol
• Exact Mass: 448.22
• IUPAC Name: 8-benzyl-3-[1-(pyrazine-2-carbonyl)piperidin-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
• SMILES: O=C(c1cnccn1)N1CCCC(N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)C1
• InChI: InChI=1S/C24H28N6O3/c31-21(20-15-25-10-11-26-20)29-12-4-7-19(17-29)30-22(32)24(27-23(30)33)8-13-28(14-9-24)16-18-5-2-1-3-6-18/h1-3,5-6,10-11,15,19H,4,7-9,12-14,16-17H2,(H,27,33)
• InChIKey: WBBSXGXCRFJRMQ-UHFFFAOYSA-N
• XLogP: 1.67
• TPSA: 98.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.53
LogP ≤ 5	1.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-3-[1-(pyrazine-2-carbonyl)piperidin-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The IUPAC name of 8-benzyl-3-[1-(pyrazine-2-carbonyl)piperidin-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 110084297) is 8-benzyl-3-[1-(pyrazine-2-carbonyl)piperidin-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.

What is the SMILES notation for 8-benzyl-3-[1-(pyrazine-2-carbonyl)piperidin-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The canonical SMILES for 8-benzyl-3-[1-(pyrazine-2-carbonyl)piperidin-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is O=C(c1cnccn1)N1CCCC(N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)C1.

What is the InChIKey of 8-benzyl-3-[1-(pyrazine-2-carbonyl)piperidin-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The InChIKey is WBBSXGXCRFJRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O3/c31-21(20-15-25-10-11-26-20)29-12-4-7-19(17-29)30-22(32)24(27-23(30)33)8-13-28(14-9-24)16-18-5-2-1-3-6-18/h1-3,5-6,10-11,15,19H,4,7-9,12-14,16-17H2,(H,27,33).

What are the key properties of 8-benzyl-3-[1-(pyrazine-2-carbonyl)piperidin-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?

8-benzyl-3-[1-(pyrazine-2-carbonyl)piperidin-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 448.53 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-benzyl-3-[1-(pyrazine-2-carbonyl)piperidin-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 110084297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).