8-(2,6-dimethoxybenzoyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

C28H34N4O5 — CID 4186511

About 8-(2,6-dimethoxybenzoyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

8-(2,6-dimethoxybenzoyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 4186511) has the molecular formula C28H34N4O5 and a molecular weight of 506.60 g/mol. Its IUPAC name is 8-(2,6-dimethoxybenzoyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

• Compound Name: 8-(2,6-dimethoxybenzoyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
• PubChem CID: 4186511
• Molecular Formula: C28H34N4O5
• Molecular Weight: 506.60 g/mol
• Exact Mass: 506.25
• IUPAC Name: 8-(2,6-dimethoxybenzoyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
• SMILES: COc1cccc(OC)c1C(=O)N1CCC2(CC1)C(=O)N(CC(=O)N1CCCC1)CN2c1ccccc1
• InChI: InChI=1S/C28H34N4O5/c1-36-22-11-8-12-23(37-2)25(22)26(34)30-17-13-28(14-18-30)27(35)31(19-24(33)29-15-6-7-16-29)20-32(28)21-9-4-3-5-10-21/h3-5,8-12H,6-7,13-20H2,1-2H3
• InChIKey: QWEBSEUWRYHPBR-UHFFFAOYSA-N
• XLogP: 2.61
• TPSA: 82.63 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.60
LogP ≤ 5	2.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 8-(2,6-dimethoxybenzoyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?

The IUPAC name of 8-(2,6-dimethoxybenzoyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (CID 4186511) is 8-(2,6-dimethoxybenzoyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.

What is the SMILES notation for 8-(2,6-dimethoxybenzoyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?

The canonical SMILES for 8-(2,6-dimethoxybenzoyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is COc1cccc(OC)c1C(=O)N1CCC2(CC1)C(=O)N(CC(=O)N1CCCC1)CN2c1ccccc1.

What is the InChIKey of 8-(2,6-dimethoxybenzoyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?

The InChIKey is QWEBSEUWRYHPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O5/c1-36-22-11-8-12-23(37-2)25(22)26(34)30-17-13-28(14-18-30)27(35)31(19-24(33)29-15-6-7-16-29)20-32(28)21-9-4-3-5-10-21/h3-5,8-12H,6-7,13-20H2,1-2H3.

What are the key properties of 8-(2,6-dimethoxybenzoyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?

8-(2,6-dimethoxybenzoyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 506.60 g/mol, XLogP of 2.61, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(2,6-dimethoxybenzoyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 4186511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).