N-(3,5-dimethoxyphenyl)-4-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide

C29H37N5O5 — CID 3993791

About N-(3,5-dimethoxyphenyl)-4-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide

N-(3,5-dimethoxyphenyl)-4-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide (PubChem CID 3993791) has the molecular formula C29H37N5O5 and a molecular weight of 535.65 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-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-(3,5-dimethoxyphenyl)-4-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
• PubChem CID: 3993791
• Molecular Formula: C29H37N5O5
• Molecular Weight: 535.65 g/mol
• Exact Mass: 535.28
• IUPAC Name: N-(3,5-dimethoxyphenyl)-4-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
• SMILES: COc1cc(NC(=O)N2CCC3(CC2)C(=O)N(CC(=O)N2CCCCC2)CN3c2ccccc2)cc(OC)c1
• InChI: InChI=1S/C29H37N5O5/c1-38-24-17-22(18-25(19-24)39-2)30-28(37)32-15-11-29(12-16-32)27(36)33(20-26(35)31-13-7-4-8-14-31)21-34(29)23-9-5-3-6-10-23/h3,5-6,9-10,17-19H,4,7-8,11-16,20-21H2,1-2H3,(H,30,37)
• InChIKey: IGJGYWDQMDHVPD-UHFFFAOYSA-N
• XLogP: 3.39
• TPSA: 94.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	535.65
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-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-(3,5-dimethoxyphenyl)-4-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide (CID 3993791) is N-(3,5-dimethoxyphenyl)-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-(3,5-dimethoxyphenyl)-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-(3,5-dimethoxyphenyl)-4-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide is COc1cc(NC(=O)N2CCC3(CC2)C(=O)N(CC(=O)N2CCCCC2)CN3c2ccccc2)cc(OC)c1.

What is the InChIKey of N-(3,5-dimethoxyphenyl)-4-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide?

The InChIKey is IGJGYWDQMDHVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N5O5/c1-38-24-17-22(18-25(19-24)39-2)30-28(37)32-15-11-29(12-16-32)27(36)33(20-26(35)31-13-7-4-8-14-31)21-34(29)23-9-5-3-6-10-23/h3,5-6,9-10,17-19H,4,7-8,11-16,20-21H2,1-2H3,(H,30,37).

What are the key properties of N-(3,5-dimethoxyphenyl)-4-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide?

N-(3,5-dimethoxyphenyl)-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 535.65 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,5-dimethoxyphenyl)-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 3993791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).