3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-8-(2-methylpropanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C22H34N4O4 — CID 92620502

About 3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-8-(2-methylpropanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-8-(2-methylpropanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 92620502) has the molecular formula C22H34N4O4 and a molecular weight of 418.54 g/mol. Its IUPAC name is 3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-8-(2-methylpropanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

• Compound Name: 3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-8-(2-methylpropanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• PubChem CID: 92620502
• Molecular Formula: C22H34N4O4
• Molecular Weight: 418.54 g/mol
• Exact Mass: 418.26
• IUPAC Name: 3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-8-(2-methylpropanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• SMILES: CC(C)C(=O)N1CCC2(CC1)NC(=O)N(C1CCN(C(=O)C3CCCC3)CC1)C2=O
• InChI: InChI=1S/C22H34N4O4/c1-15(2)18(27)25-13-9-22(10-14-25)20(29)26(21(30)23-22)17-7-11-24(12-8-17)19(28)16-5-3-4-6-16/h15-17H,3-14H2,1-2H3,(H,23,30)
• InChIKey: BNIZUHSNEPYQSC-UHFFFAOYSA-N
• XLogP: 1.74
• TPSA: 90.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.54
LogP ≤ 5	1.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-8-(2-methylpropanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 92620502) is 3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-8-(2-methylpropanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

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

The canonical SMILES for 3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-8-(2-methylpropanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is CC(C)C(=O)N1CCC2(CC1)NC(=O)N(C1CCN(C(=O)C3CCCC3)CC1)C2=O.

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

The InChIKey is BNIZUHSNEPYQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O4/c1-15(2)18(27)25-13-9-22(10-14-25)20(29)26(21(30)23-22)17-7-11-24(12-8-17)19(28)16-5-3-4-6-16/h15-17H,3-14H2,1-2H3,(H,23,30).

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

3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-8-(2-methylpropanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 418.54 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-8-(2-methylpropanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 92620502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).