1-methyl-2-oxo-8-[(3-phenylphenyl)methyl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid

C23H26N2O3 — CID 72844691

About 1-methyl-2-oxo-8-[(3-phenylphenyl)methyl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid

1-methyl-2-oxo-8-[(3-phenylphenyl)methyl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid (PubChem CID 72844691) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 1-methyl-2-oxo-8-[(3-phenylphenyl)methyl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid.

Molecular Properties

• Compound Name: 1-methyl-2-oxo-8-[(3-phenylphenyl)methyl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid
• PubChem CID: 72844691
• Molecular Formula: C23H26N2O3
• Molecular Weight: 378.47 g/mol
• Exact Mass: 378.19
• IUPAC Name: 1-methyl-2-oxo-8-[(3-phenylphenyl)methyl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid
• SMILES: CN1C(=O)CC(C(=O)O)C12CCN(Cc1cccc(-c3ccccc3)c1)CC2
• InChI: InChI=1S/C23H26N2O3/c1-24-21(26)15-20(22(27)28)23(24)10-12-25(13-11-23)16-17-6-5-9-19(14-17)18-7-3-2-4-8-18/h2-9,14,20H,10-13,15-16H2,1H3,(H,27,28)
• InChIKey: ZZZDOIYCRORASM-UHFFFAOYSA-N
• XLogP: 3.25
• TPSA: 60.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.47
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-8-[(3-phenylphenyl)methyl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid?

The IUPAC name of 1-methyl-2-oxo-8-[(3-phenylphenyl)methyl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid (CID 72844691) is 1-methyl-2-oxo-8-[(3-phenylphenyl)methyl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid.

What is the SMILES notation for 1-methyl-2-oxo-8-[(3-phenylphenyl)methyl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid?

The canonical SMILES for 1-methyl-2-oxo-8-[(3-phenylphenyl)methyl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid is CN1C(=O)CC(C(=O)O)C12CCN(Cc1cccc(-c3ccccc3)c1)CC2.

What is the InChIKey of 1-methyl-2-oxo-8-[(3-phenylphenyl)methyl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid?

The InChIKey is ZZZDOIYCRORASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-24-21(26)15-20(22(27)28)23(24)10-12-25(13-11-23)16-17-6-5-9-19(14-17)18-7-3-2-4-8-18/h2-9,14,20H,10-13,15-16H2,1H3,(H,27,28).

What are the key properties of 1-methyl-2-oxo-8-[(3-phenylphenyl)methyl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid?

1-methyl-2-oxo-8-[(3-phenylphenyl)methyl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid has a molecular weight of 378.47 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-2-oxo-8-[(3-phenylphenyl)methyl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid is sourced from PubChem (CID 72844691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).