1-[(3-methoxyphenyl)methyl]-N-methyl-2-oxo-3-(4-pyrazolidin-4-ylphenyl)-1,3,8-triazaspiro[4.5]decane-8-carboxamide

C26H34N6O3 — CID 155922035

About 1-[(3-methoxyphenyl)methyl]-N-methyl-2-oxo-3-(4-pyrazolidin-4-ylphenyl)-1,3,8-triazaspiro[4.5]decane-8-carboxamide

1-[(3-methoxyphenyl)methyl]-N-methyl-2-oxo-3-(4-pyrazolidin-4-ylphenyl)-1,3,8-triazaspiro[4.5]decane-8-carboxamide (PubChem CID 155922035) has the molecular formula C26H34N6O3 and a molecular weight of 478.60 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)methyl]-N-methyl-2-oxo-3-(4-pyrazolidin-4-ylphenyl)-1,3,8-triazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

• Compound Name: 1-[(3-methoxyphenyl)methyl]-N-methyl-2-oxo-3-(4-pyrazolidin-4-ylphenyl)-1,3,8-triazaspiro[4.5]decane-8-carboxamide
• PubChem CID: 155922035
• Molecular Formula: C26H34N6O3
• Molecular Weight: 478.60 g/mol
• Exact Mass: 478.27
• IUPAC Name: 1-[(3-methoxyphenyl)methyl]-N-methyl-2-oxo-3-(4-pyrazolidin-4-ylphenyl)-1,3,8-triazaspiro[4.5]decane-8-carboxamide
• SMILES: CNC(=O)N1CCC2(CC1)CN(c1ccc(C3CNNC3)cc1)C(=O)N2Cc1cccc(OC)c1
• InChI: InChI=1S/C26H34N6O3/c1-27-24(33)30-12-10-26(11-13-30)18-31(22-8-6-20(7-9-22)21-15-28-29-16-21)25(34)32(26)17-19-4-3-5-23(14-19)35-2/h3-9,14,21,28-29H,10-13,15-18H2,1-2H3,(H,27,33)
• InChIKey: NHCFUFMMWMTGGK-UHFFFAOYSA-N
• XLogP: 2.50
• TPSA: 89.18 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.60
LogP ≤ 5	2.50
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)methyl]-N-methyl-2-oxo-3-(4-pyrazolidin-4-ylphenyl)-1,3,8-triazaspiro[4.5]decane-8-carboxamide?

The IUPAC name of 1-[(3-methoxyphenyl)methyl]-N-methyl-2-oxo-3-(4-pyrazolidin-4-ylphenyl)-1,3,8-triazaspiro[4.5]decane-8-carboxamide (CID 155922035) is 1-[(3-methoxyphenyl)methyl]-N-methyl-2-oxo-3-(4-pyrazolidin-4-ylphenyl)-1,3,8-triazaspiro[4.5]decane-8-carboxamide.

What is the SMILES notation for 1-[(3-methoxyphenyl)methyl]-N-methyl-2-oxo-3-(4-pyrazolidin-4-ylphenyl)-1,3,8-triazaspiro[4.5]decane-8-carboxamide?

The canonical SMILES for 1-[(3-methoxyphenyl)methyl]-N-methyl-2-oxo-3-(4-pyrazolidin-4-ylphenyl)-1,3,8-triazaspiro[4.5]decane-8-carboxamide is CNC(=O)N1CCC2(CC1)CN(c1ccc(C3CNNC3)cc1)C(=O)N2Cc1cccc(OC)c1.

What is the InChIKey of 1-[(3-methoxyphenyl)methyl]-N-methyl-2-oxo-3-(4-pyrazolidin-4-ylphenyl)-1,3,8-triazaspiro[4.5]decane-8-carboxamide?

The InChIKey is NHCFUFMMWMTGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O3/c1-27-24(33)30-12-10-26(11-13-30)18-31(22-8-6-20(7-9-22)21-15-28-29-16-21)25(34)32(26)17-19-4-3-5-23(14-19)35-2/h3-9,14,21,28-29H,10-13,15-18H2,1-2H3,(H,27,33).

What are the key properties of 1-[(3-methoxyphenyl)methyl]-N-methyl-2-oxo-3-(4-pyrazolidin-4-ylphenyl)-1,3,8-triazaspiro[4.5]decane-8-carboxamide?

1-[(3-methoxyphenyl)methyl]-N-methyl-2-oxo-3-(4-pyrazolidin-4-ylphenyl)-1,3,8-triazaspiro[4.5]decane-8-carboxamide has a molecular weight of 478.60 g/mol, XLogP of 2.50, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3-methoxyphenyl)methyl]-N-methyl-2-oxo-3-(4-pyrazolidin-4-ylphenyl)-1,3,8-triazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 155922035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).