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

C17H24N4O4 — CID 72909773

IUPAC2-(2-methoxyethyl)-8-(6-oxo-1H-pyrazine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCOCCN1CC2(CCCN(C(=O)c3c[nH]c(=O)cn3)C2)CCC1=O
InChIInChI=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)
InChIKeyRAQBCFHTUXNZGA-UHFFFAOYSA-N
MW348.40 g/mol
LogP0.26
Rot. Bonds4

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 Name2-(2-methoxyethyl)-8-(6-oxo-1H-pyrazine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID72909773
Molecular FormulaC17H24N4O4
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC Name2-(2-methoxyethyl)-8-(6-oxo-1H-pyrazine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCOCCN1CC2(CCCN(C(=O)c3c[nH]c(=O)cn3)C2)CCC1=O
InChIInChI=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)
InChIKeyRAQBCFHTUXNZGA-UHFFFAOYSA-N
XLogP0.26
TPSA95.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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).