2-(2-methoxyethyl)-8-(6-oxo-1H-pyrazine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one

C17H24N4O4 — CID 72909773

About 2-(2-methoxyethyl)-8-(6-oxo-1H-pyrazine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one

2-(2-methoxyethyl)-8-(6-oxo-1H-pyrazine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 72909773) has the molecular formula C17H24N4O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-8-(6-oxo-1H-pyrazine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

• Compound Name: 2-(2-methoxyethyl)-8-(6-oxo-1H-pyrazine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
• PubChem CID: 72909773
• Molecular Formula: C17H24N4O4
• Molecular Weight: 348.40 g/mol
• Exact Mass: 348.18
• IUPAC Name: 2-(2-methoxyethyl)-8-(6-oxo-1H-pyrazine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
• SMILES: COCCN1CC2(CCCN(C(=O)c3c[nH]c(=O)cn3)C2)CCC1=O
• InChI: InChI=1S/C17H24N4O4/c1-25-8-7-20-11-17(5-3-15(20)23)4-2-6-21(12-17)16(24)13-9-19-14(22)10-18-13/h9-10H,2-8,11-12H2,1H3,(H,19,22)
• InChIKey: RAQBCFHTUXNZGA-UHFFFAOYSA-N
• XLogP: 0.26
• TPSA: 95.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	348.40
LogP ≤ 5	0.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-8-(6-oxo-1H-pyrazine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?

The IUPAC name of 2-(2-methoxyethyl)-8-(6-oxo-1H-pyrazine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one (CID 72909773) is 2-(2-methoxyethyl)-8-(6-oxo-1H-pyrazine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one.

What is the SMILES notation for 2-(2-methoxyethyl)-8-(6-oxo-1H-pyrazine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?

The canonical SMILES for 2-(2-methoxyethyl)-8-(6-oxo-1H-pyrazine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one is COCCN1CC2(CCCN(C(=O)c3c[nH]c(=O)cn3)C2)CCC1=O.

What is the InChIKey of 2-(2-methoxyethyl)-8-(6-oxo-1H-pyrazine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?

The InChIKey is RAQBCFHTUXNZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4/c1-25-8-7-20-11-17(5-3-15(20)23)4-2-6-21(12-17)16(24)13-9-19-14(22)10-18-13/h9-10H,2-8,11-12H2,1H3,(H,19,22).

What are the key properties of 2-(2-methoxyethyl)-8-(6-oxo-1H-pyrazine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?

2-(2-methoxyethyl)-8-(6-oxo-1H-pyrazine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 348.40 g/mol, XLogP of 0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-methoxyethyl)-8-(6-oxo-1H-pyrazine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72909773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).