N-(4-cyanophenyl)-4-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide

C28H32N6O3 — CID 42766533

About N-(4-cyanophenyl)-4-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide

N-(4-cyanophenyl)-4-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide (PubChem CID 42766533) has the molecular formula C28H32N6O3 and a molecular weight of 500.60 g/mol. Its IUPAC name is N-(4-cyanophenyl)-4-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

• Compound Name: N-(4-cyanophenyl)-4-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
• PubChem CID: 42766533
• Molecular Formula: C28H32N6O3
• Molecular Weight: 500.60 g/mol
• Exact Mass: 500.25
• IUPAC Name: N-(4-cyanophenyl)-4-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
• SMILES: N#Cc1ccc(NC(=O)N2CCC3(CC2)C(=O)N(CC(=O)N2CCCCC2)CN3c2ccccc2)cc1
• InChI: InChI=1S/C28H32N6O3/c29-19-22-9-11-23(12-10-22)30-27(37)32-17-13-28(14-18-32)26(36)33(20-25(35)31-15-5-2-6-16-31)21-34(28)24-7-3-1-4-8-24/h1,3-4,7-12H,2,5-6,13-18,20-21H2,(H,30,37)
• InChIKey: AHBLEIKYOFYUID-UHFFFAOYSA-N
• XLogP: 3.24
• TPSA: 99.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.60
LogP ≤ 5	3.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-4-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide?

The IUPAC name of N-(4-cyanophenyl)-4-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide (CID 42766533) is N-(4-cyanophenyl)-4-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide.

What is the SMILES notation for N-(4-cyanophenyl)-4-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide?

The canonical SMILES for N-(4-cyanophenyl)-4-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide is N#Cc1ccc(NC(=O)N2CCC3(CC2)C(=O)N(CC(=O)N2CCCCC2)CN3c2ccccc2)cc1.

What is the InChIKey of N-(4-cyanophenyl)-4-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide?

The InChIKey is AHBLEIKYOFYUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6O3/c29-19-22-9-11-23(12-10-22)30-27(37)32-17-13-28(14-18-32)26(36)33(20-25(35)31-15-5-2-6-16-31)21-34(28)24-7-3-1-4-8-24/h1,3-4,7-12H,2,5-6,13-18,20-21H2,(H,30,37).

What are the key properties of N-(4-cyanophenyl)-4-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide?

N-(4-cyanophenyl)-4-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide has a molecular weight of 500.60 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-cyanophenyl)-4-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 42766533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).