(5R)-7-[(4-methoxyphenyl)methyl]-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one

C23H28N2O2 — CID 97373838

About (5R)-7-[(4-methoxyphenyl)methyl]-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one

(5R)-7-[(4-methoxyphenyl)methyl]-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 97373838) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is (5R)-7-[(4-methoxyphenyl)methyl]-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

• Compound Name: (5R)-7-[(4-methoxyphenyl)methyl]-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one
• PubChem CID: 97373838
• Molecular Formula: C23H28N2O2
• Molecular Weight: 364.49 g/mol
• Exact Mass: 364.22
• IUPAC Name: (5R)-7-[(4-methoxyphenyl)methyl]-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one
• SMILES: COc1ccc(CN2CC[C@@]3(CCN(Cc4cccc(C)c4)C3=O)C2)cc1
• InChI: InChI=1S/C23H28N2O2/c1-18-4-3-5-20(14-18)16-25-13-11-23(22(25)26)10-12-24(17-23)15-19-6-8-21(27-2)9-7-19/h3-9,14H,10-13,15-17H2,1-2H3/t23-/m1/s1
• InChIKey: DDGSVEIXXDODSO-HSZRJFAPSA-N
• XLogP: 3.63
• TPSA: 32.78 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.49
LogP ≤ 5	3.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (5R)-7-[(4-methoxyphenyl)methyl]-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one?

The IUPAC name of (5R)-7-[(4-methoxyphenyl)methyl]-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one (CID 97373838) is (5R)-7-[(4-methoxyphenyl)methyl]-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one.

What is the SMILES notation for (5R)-7-[(4-methoxyphenyl)methyl]-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one?

The canonical SMILES for (5R)-7-[(4-methoxyphenyl)methyl]-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one is COc1ccc(CN2CC[C@@]3(CCN(Cc4cccc(C)c4)C3=O)C2)cc1.

What is the InChIKey of (5R)-7-[(4-methoxyphenyl)methyl]-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one?

The InChIKey is DDGSVEIXXDODSO-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-18-4-3-5-20(14-18)16-25-13-11-23(22(25)26)10-12-24(17-23)15-19-6-8-21(27-2)9-7-19/h3-9,14H,10-13,15-17H2,1-2H3/t23-/m1/s1.

What are the key properties of (5R)-7-[(4-methoxyphenyl)methyl]-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one?

(5R)-7-[(4-methoxyphenyl)methyl]-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 364.49 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-7-[(4-methoxyphenyl)methyl]-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 97373838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).