8-[[1-(2-cyclopropylacetyl)-4-phenylpyrrolidin-3-yl]methyl]-2-[(4-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one

C32H41N3O3 — CID 67369537

About 8-[[1-(2-cyclopropylacetyl)-4-phenylpyrrolidin-3-yl]methyl]-2-[(4-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one

8-[[1-(2-cyclopropylacetyl)-4-phenylpyrrolidin-3-yl]methyl]-2-[(4-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 67369537) has the molecular formula C32H41N3O3 and a molecular weight of 515.70 g/mol. Its IUPAC name is 8-[[1-(2-cyclopropylacetyl)-4-phenylpyrrolidin-3-yl]methyl]-2-[(4-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

• Compound Name: 8-[[1-(2-cyclopropylacetyl)-4-phenylpyrrolidin-3-yl]methyl]-2-[(4-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one
• PubChem CID: 67369537
• Molecular Formula: C32H41N3O3
• Molecular Weight: 515.70 g/mol
• Exact Mass: 515.31
• IUPAC Name: 8-[[1-(2-cyclopropylacetyl)-4-phenylpyrrolidin-3-yl]methyl]-2-[(4-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one
• SMILES: COc1ccc(CN2CC3(CCN(CC4CN(C(=O)CC5CC5)CC4c4ccccc4)CC3)CC2=O)cc1
• InChI: InChI=1S/C32H41N3O3/c1-38-28-11-9-25(10-12-28)19-35-23-32(18-31(35)37)13-15-33(16-14-32)20-27-21-34(30(36)17-24-7-8-24)22-29(27)26-5-3-2-4-6-26/h2-6,9-12,24,27,29H,7-8,13-23H2,1H3
• InChIKey: HSMSHQUQBZLNIB-UHFFFAOYSA-N
• XLogP: 4.55
• TPSA: 53.09 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.70
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 8-[[1-(2-cyclopropylacetyl)-4-phenylpyrrolidin-3-yl]methyl]-2-[(4-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one?

The IUPAC name of 8-[[1-(2-cyclopropylacetyl)-4-phenylpyrrolidin-3-yl]methyl]-2-[(4-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one (CID 67369537) is 8-[[1-(2-cyclopropylacetyl)-4-phenylpyrrolidin-3-yl]methyl]-2-[(4-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one.

What is the SMILES notation for 8-[[1-(2-cyclopropylacetyl)-4-phenylpyrrolidin-3-yl]methyl]-2-[(4-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one?

The canonical SMILES for 8-[[1-(2-cyclopropylacetyl)-4-phenylpyrrolidin-3-yl]methyl]-2-[(4-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one is COc1ccc(CN2CC3(CCN(CC4CN(C(=O)CC5CC5)CC4c4ccccc4)CC3)CC2=O)cc1.

What is the InChIKey of 8-[[1-(2-cyclopropylacetyl)-4-phenylpyrrolidin-3-yl]methyl]-2-[(4-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one?

The InChIKey is HSMSHQUQBZLNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H41N3O3/c1-38-28-11-9-25(10-12-28)19-35-23-32(18-31(35)37)13-15-33(16-14-32)20-27-21-34(30(36)17-24-7-8-24)22-29(27)26-5-3-2-4-6-26/h2-6,9-12,24,27,29H,7-8,13-23H2,1H3.

What are the key properties of 8-[[1-(2-cyclopropylacetyl)-4-phenylpyrrolidin-3-yl]methyl]-2-[(4-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one?

8-[[1-(2-cyclopropylacetyl)-4-phenylpyrrolidin-3-yl]methyl]-2-[(4-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 515.70 g/mol, XLogP of 4.55, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[[1-(2-cyclopropylacetyl)-4-phenylpyrrolidin-3-yl]methyl]-2-[(4-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 67369537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).