N-benzyl-2-[8-(cyclopentanecarbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-methylacetamide

C29H36N4O3 — CID 3489356

About N-benzyl-2-[8-(cyclopentanecarbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-methylacetamide

N-benzyl-2-[8-(cyclopentanecarbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-methylacetamide (PubChem CID 3489356) has the molecular formula C29H36N4O3 and a molecular weight of 488.63 g/mol. Its IUPAC name is N-benzyl-2-[8-(cyclopentanecarbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-methylacetamide.

Molecular Properties

• Compound Name: N-benzyl-2-[8-(cyclopentanecarbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-methylacetamide
• PubChem CID: 3489356
• Molecular Formula: C29H36N4O3
• Molecular Weight: 488.63 g/mol
• Exact Mass: 488.28
• IUPAC Name: N-benzyl-2-[8-(cyclopentanecarbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-methylacetamide
• SMILES: CN(Cc1ccccc1)C(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)C3CCCC3)CC2)C1=O
• InChI: InChI=1S/C29H36N4O3/c1-30(20-23-10-4-2-5-11-23)26(34)21-32-22-33(25-14-6-3-7-15-25)29(28(32)36)16-18-31(19-17-29)27(35)24-12-8-9-13-24/h2-7,10-11,14-15,24H,8-9,12-13,16-22H2,1H3
• InChIKey: QHZNAGFQBWGSDG-UHFFFAOYSA-N
• XLogP: 3.50
• TPSA: 64.17 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.63
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[8-(cyclopentanecarbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-methylacetamide?

The IUPAC name of N-benzyl-2-[8-(cyclopentanecarbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-methylacetamide (CID 3489356) is N-benzyl-2-[8-(cyclopentanecarbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-methylacetamide.

What is the SMILES notation for N-benzyl-2-[8-(cyclopentanecarbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-methylacetamide?

The canonical SMILES for N-benzyl-2-[8-(cyclopentanecarbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-methylacetamide is CN(Cc1ccccc1)C(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)C3CCCC3)CC2)C1=O.

What is the InChIKey of N-benzyl-2-[8-(cyclopentanecarbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-methylacetamide?

The InChIKey is QHZNAGFQBWGSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N4O3/c1-30(20-23-10-4-2-5-11-23)26(34)21-32-22-33(25-14-6-3-7-15-25)29(28(32)36)16-18-31(19-17-29)27(35)24-12-8-9-13-24/h2-7,10-11,14-15,24H,8-9,12-13,16-22H2,1H3.

What are the key properties of N-benzyl-2-[8-(cyclopentanecarbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-methylacetamide?

N-benzyl-2-[8-(cyclopentanecarbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-methylacetamide has a molecular weight of 488.63 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-2-[8-(cyclopentanecarbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-methylacetamide is sourced from PubChem (CID 3489356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).