2-[(4-methoxyphenyl)methyl]-8-[[4-phenyl-1-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methyl]-2,8-diazaspiro[4.5]decan-1-one;hydrochloride

C32H43ClN4O3 — CID 67372309

About 2-[(4-methoxyphenyl)methyl]-8-[[4-phenyl-1-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methyl]-2,8-diazaspiro[4.5]decan-1-one;hydrochloride

2-[(4-methoxyphenyl)methyl]-8-[[4-phenyl-1-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methyl]-2,8-diazaspiro[4.5]decan-1-one;hydrochloride (PubChem CID 67372309) has the molecular formula C32H43ClN4O3 and a molecular weight of 567.17 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]-8-[[4-phenyl-1-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methyl]-2,8-diazaspiro[4.5]decan-1-one;hydrochloride.

Molecular Properties

• Compound Name: 2-[(4-methoxyphenyl)methyl]-8-[[4-phenyl-1-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methyl]-2,8-diazaspiro[4.5]decan-1-one;hydrochloride
• PubChem CID: 67372309
• Molecular Formula: C32H43ClN4O3
• Molecular Weight: 567.17 g/mol
• Exact Mass: 566.30
• IUPAC Name: 2-[(4-methoxyphenyl)methyl]-8-[[4-phenyl-1-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methyl]-2,8-diazaspiro[4.5]decan-1-one;hydrochloride
• SMILES: COc1ccc(CN2CCC3(CCN(CC4CN(C(=O)N5CCCC5)CC4c4ccccc4)CC3)C2=O)cc1.Cl
• InChI: InChI=1S/C32H42N4O3.ClH/c1-39-28-11-9-25(10-12-28)21-35-20-15-32(30(35)37)13-18-33(19-14-32)22-27-23-36(31(38)34-16-5-6-17-34)24-29(27)26-7-3-2-4-8-26;/h2-4,7-12,27,29H,5-6,13-24H2,1H3;1H
• InChIKey: LGMYXDSPMZWOOU-UHFFFAOYSA-N
• XLogP: 4.86
• TPSA: 56.33 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	567.17
LogP ≤ 5	4.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]-8-[[4-phenyl-1-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methyl]-2,8-diazaspiro[4.5]decan-1-one;hydrochloride?

The IUPAC name of 2-[(4-methoxyphenyl)methyl]-8-[[4-phenyl-1-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methyl]-2,8-diazaspiro[4.5]decan-1-one;hydrochloride (CID 67372309) is 2-[(4-methoxyphenyl)methyl]-8-[[4-phenyl-1-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methyl]-2,8-diazaspiro[4.5]decan-1-one;hydrochloride.

What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]-8-[[4-phenyl-1-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methyl]-2,8-diazaspiro[4.5]decan-1-one;hydrochloride?

The canonical SMILES for 2-[(4-methoxyphenyl)methyl]-8-[[4-phenyl-1-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methyl]-2,8-diazaspiro[4.5]decan-1-one;hydrochloride is COc1ccc(CN2CCC3(CCN(CC4CN(C(=O)N5CCCC5)CC4c4ccccc4)CC3)C2=O)cc1.Cl.

What is the InChIKey of 2-[(4-methoxyphenyl)methyl]-8-[[4-phenyl-1-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methyl]-2,8-diazaspiro[4.5]decan-1-one;hydrochloride?

The InChIKey is LGMYXDSPMZWOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42N4O3.ClH/c1-39-28-11-9-25(10-12-28)21-35-20-15-32(30(35)37)13-18-33(19-14-32)22-27-23-36(31(38)34-16-5-6-17-34)24-29(27)26-7-3-2-4-8-26;/h2-4,7-12,27,29H,5-6,13-24H2,1H3;1H.

What are the key properties of 2-[(4-methoxyphenyl)methyl]-8-[[4-phenyl-1-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methyl]-2,8-diazaspiro[4.5]decan-1-one;hydrochloride?

2-[(4-methoxyphenyl)methyl]-8-[[4-phenyl-1-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methyl]-2,8-diazaspiro[4.5]decan-1-one;hydrochloride has a molecular weight of 567.17 g/mol, XLogP of 4.86, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-methoxyphenyl)methyl]-8-[[4-phenyl-1-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methyl]-2,8-diazaspiro[4.5]decan-1-one;hydrochloride is sourced from PubChem (CID 67372309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).