2-(1,3-benzodioxol-5-yl)-1-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]ethanone

C20H28N2O4 — CID 131658692

About 2-(1,3-benzodioxol-5-yl)-1-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]ethanone

2-(1,3-benzodioxol-5-yl)-1-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]ethanone (PubChem CID 131658692) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-1-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]ethanone.

Molecular Properties

• Compound Name: 2-(1,3-benzodioxol-5-yl)-1-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]ethanone
• PubChem CID: 131658692
• Molecular Formula: C20H28N2O4
• Molecular Weight: 360.45 g/mol
• Exact Mass: 360.20
• IUPAC Name: 2-(1,3-benzodioxol-5-yl)-1-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]ethanone
• SMILES: COCC1CN(C)CC12CCN(C(=O)Cc1ccc3c(c1)OCO3)CC2
• InChI: InChI=1S/C20H28N2O4/c1-21-11-16(12-24-2)20(13-21)5-7-22(8-6-20)19(23)10-15-3-4-17-18(9-15)26-14-25-17/h3-4,9,16H,5-8,10-14H2,1-2H3
• InChIKey: MHUCUAFYTIYMQR-UHFFFAOYSA-N
• XLogP: 1.77
• TPSA: 51.24 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	360.45
LogP ≤ 5	1.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-1-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]ethanone?

The IUPAC name of 2-(1,3-benzodioxol-5-yl)-1-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]ethanone (CID 131658692) is 2-(1,3-benzodioxol-5-yl)-1-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]ethanone.

What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-1-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]ethanone?

The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-1-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]ethanone is COCC1CN(C)CC12CCN(C(=O)Cc1ccc3c(c1)OCO3)CC2.

What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-1-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]ethanone?

The InChIKey is MHUCUAFYTIYMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-21-11-16(12-24-2)20(13-21)5-7-22(8-6-20)19(23)10-15-3-4-17-18(9-15)26-14-25-17/h3-4,9,16H,5-8,10-14H2,1-2H3.

What are the key properties of 2-(1,3-benzodioxol-5-yl)-1-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]ethanone?

2-(1,3-benzodioxol-5-yl)-1-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]ethanone has a molecular weight of 360.45 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1,3-benzodioxol-5-yl)-1-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]ethanone is sourced from PubChem (CID 131658692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).