1-(2-methoxyethyl)-3-[(3-methoxyphenyl)methyl]-8-[(3-piperidin-1-ylphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

C30H40N4O4 — CID 59169745

About 1-(2-methoxyethyl)-3-[(3-methoxyphenyl)methyl]-8-[(3-piperidin-1-ylphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

1-(2-methoxyethyl)-3-[(3-methoxyphenyl)methyl]-8-[(3-piperidin-1-ylphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 59169745) has the molecular formula C30H40N4O4 and a molecular weight of 520.67 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-[(3-methoxyphenyl)methyl]-8-[(3-piperidin-1-ylphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

• Compound Name: 1-(2-methoxyethyl)-3-[(3-methoxyphenyl)methyl]-8-[(3-piperidin-1-ylphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
• PubChem CID: 59169745
• Molecular Formula: C30H40N4O4
• Molecular Weight: 520.67 g/mol
• Exact Mass: 520.30
• IUPAC Name: 1-(2-methoxyethyl)-3-[(3-methoxyphenyl)methyl]-8-[(3-piperidin-1-ylphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
• SMILES: COCCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CCN(Cc1cccc(N3CCCCC3)c1)CC2
• InChI: InChI=1S/C30H40N4O4/c1-37-19-18-34-29(36)33(23-25-9-7-11-27(21-25)38-2)28(35)30(34)12-16-31(17-13-30)22-24-8-6-10-26(20-24)32-14-4-3-5-15-32/h6-11,20-21H,3-5,12-19,22-23H2,1-2H3
• InChIKey: UURKQOACDJGEFM-UHFFFAOYSA-N
• XLogP: 4.13
• TPSA: 65.56 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.67
LogP ≤ 5	4.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-[(3-methoxyphenyl)methyl]-8-[(3-piperidin-1-ylphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The IUPAC name of 1-(2-methoxyethyl)-3-[(3-methoxyphenyl)methyl]-8-[(3-piperidin-1-ylphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 59169745) is 1-(2-methoxyethyl)-3-[(3-methoxyphenyl)methyl]-8-[(3-piperidin-1-ylphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.

What is the SMILES notation for 1-(2-methoxyethyl)-3-[(3-methoxyphenyl)methyl]-8-[(3-piperidin-1-ylphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The canonical SMILES for 1-(2-methoxyethyl)-3-[(3-methoxyphenyl)methyl]-8-[(3-piperidin-1-ylphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is COCCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CCN(Cc1cccc(N3CCCCC3)c1)CC2.

What is the InChIKey of 1-(2-methoxyethyl)-3-[(3-methoxyphenyl)methyl]-8-[(3-piperidin-1-ylphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The InChIKey is UURKQOACDJGEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N4O4/c1-37-19-18-34-29(36)33(23-25-9-7-11-27(21-25)38-2)28(35)30(34)12-16-31(17-13-30)22-24-8-6-10-26(20-24)32-14-4-3-5-15-32/h6-11,20-21H,3-5,12-19,22-23H2,1-2H3.

What are the key properties of 1-(2-methoxyethyl)-3-[(3-methoxyphenyl)methyl]-8-[(3-piperidin-1-ylphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?

1-(2-methoxyethyl)-3-[(3-methoxyphenyl)methyl]-8-[(3-piperidin-1-ylphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 520.67 g/mol, XLogP of 4.13, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-methoxyethyl)-3-[(3-methoxyphenyl)methyl]-8-[(3-piperidin-1-ylphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 59169745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).