2-[(3-methoxyphenyl)methyl]-7-[(5-methylfuran-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one

C21H26N2O3 — CID 131647571

About 2-[(3-methoxyphenyl)methyl]-7-[(5-methylfuran-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one

2-[(3-methoxyphenyl)methyl]-7-[(5-methylfuran-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 131647571) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methyl]-7-[(5-methylfuran-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

• Compound Name: 2-[(3-methoxyphenyl)methyl]-7-[(5-methylfuran-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one
• PubChem CID: 131647571
• Molecular Formula: C21H26N2O3
• Molecular Weight: 354.45 g/mol
• Exact Mass: 354.19
• IUPAC Name: 2-[(3-methoxyphenyl)methyl]-7-[(5-methylfuran-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one
• SMILES: COc1cccc(CN2CCC3(CCN(Cc4ccc(C)o4)C3)C2=O)c1
• InChI: InChI=1S/C21H26N2O3/c1-16-6-7-19(26-16)14-22-10-8-21(15-22)9-11-23(20(21)24)13-17-4-3-5-18(12-17)25-2/h3-7,12H,8-11,13-15H2,1-2H3
• InChIKey: MWNQMVHNCWFELP-UHFFFAOYSA-N
• XLogP: 3.22
• TPSA: 45.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	354.45
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2-[(3-methoxyphenyl)methyl]-7-[(5-methylfuran-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one (CID 131647571) is 2-[(3-methoxyphenyl)methyl]-7-[(5-methylfuran-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one.

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

The canonical SMILES for 2-[(3-methoxyphenyl)methyl]-7-[(5-methylfuran-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one is COc1cccc(CN2CCC3(CCN(Cc4ccc(C)o4)C3)C2=O)c1.

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

The InChIKey is MWNQMVHNCWFELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-16-6-7-19(26-16)14-22-10-8-21(15-22)9-11-23(20(21)24)13-17-4-3-5-18(12-17)25-2/h3-7,12H,8-11,13-15H2,1-2H3.

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

2-[(3-methoxyphenyl)methyl]-7-[(5-methylfuran-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 354.45 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3-methoxyphenyl)methyl]-7-[(5-methylfuran-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 131647571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).