2-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-[2-(dimethylamino)acetyl]-2,7-diazaspiro[4.4]nonan-3-one

C19H25N3O4 — CID 131661647

About 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-[2-(dimethylamino)acetyl]-2,7-diazaspiro[4.4]nonan-3-one

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-[2-(dimethylamino)acetyl]-2,7-diazaspiro[4.4]nonan-3-one (PubChem CID 131661647) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-[2-(dimethylamino)acetyl]-2,7-diazaspiro[4.4]nonan-3-one.

Molecular Properties

• Compound Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-[2-(dimethylamino)acetyl]-2,7-diazaspiro[4.4]nonan-3-one
• PubChem CID: 131661647
• Molecular Formula: C19H25N3O4
• Molecular Weight: 359.43 g/mol
• Exact Mass: 359.18
• IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-[2-(dimethylamino)acetyl]-2,7-diazaspiro[4.4]nonan-3-one
• SMILES: CN(C)CC(=O)N1CCC2(CC(=O)N(c3ccc4c(c3)OCCO4)C2)C1
• InChI: InChI=1S/C19H25N3O4/c1-20(2)11-18(24)21-6-5-19(12-21)10-17(23)22(13-19)14-3-4-15-16(9-14)26-8-7-25-15/h3-4,9H,5-8,10-13H2,1-2H3
• InChIKey: RJRLMMKIGKBXGG-UHFFFAOYSA-N
• XLogP: 0.97
• TPSA: 62.32 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	359.43
LogP ≤ 5	0.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-[2-(dimethylamino)acetyl]-2,7-diazaspiro[4.4]nonan-3-one?

The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-[2-(dimethylamino)acetyl]-2,7-diazaspiro[4.4]nonan-3-one (CID 131661647) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-[2-(dimethylamino)acetyl]-2,7-diazaspiro[4.4]nonan-3-one.

What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-[2-(dimethylamino)acetyl]-2,7-diazaspiro[4.4]nonan-3-one?

The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-[2-(dimethylamino)acetyl]-2,7-diazaspiro[4.4]nonan-3-one is CN(C)CC(=O)N1CCC2(CC(=O)N(c3ccc4c(c3)OCCO4)C2)C1.

What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-[2-(dimethylamino)acetyl]-2,7-diazaspiro[4.4]nonan-3-one?

The InChIKey is RJRLMMKIGKBXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-20(2)11-18(24)21-6-5-19(12-21)10-17(23)22(13-19)14-3-4-15-16(9-14)26-8-7-25-15/h3-4,9H,5-8,10-13H2,1-2H3.

What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-[2-(dimethylamino)acetyl]-2,7-diazaspiro[4.4]nonan-3-one?

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-[2-(dimethylamino)acetyl]-2,7-diazaspiro[4.4]nonan-3-one has a molecular weight of 359.43 g/mol, XLogP of 0.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-[2-(dimethylamino)acetyl]-2,7-diazaspiro[4.4]nonan-3-one is sourced from PubChem (CID 131661647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).