7-(2-methoxyethyl)-2-(6-methylpyrazin-2-yl)-2,7-diazaspiro[4.5]decan-6-one

C16H24N4O2 — CID 72852341

IUPAC7-(2-methoxyethyl)-2-(6-methylpyrazin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCOCCN1CCCC2(CCN(c3cncc(C)n3)C2)C1=O
InChIInChI=1S/C16H24N4O2/c1-13-10-17-11-14(18-13)20-7-5-16(12-20)4-3-6-19(15(16)21)8-9-22-2/h10-11H,3-9,12H2,1-2H3
InChIKeyVMMCEEVLLOHIJN-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.25
Rot. Bonds4

About 7-(2-methoxyethyl)-2-(6-methylpyrazin-2-yl)-2,7-diazaspiro[4.5]decan-6-one

7-(2-methoxyethyl)-2-(6-methylpyrazin-2-yl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72852341) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 7-(2-methoxyethyl)-2-(6-methylpyrazin-2-yl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-(2-methoxyethyl)-2-(6-methylpyrazin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72852341
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name7-(2-methoxyethyl)-2-(6-methylpyrazin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCOCCN1CCCC2(CCN(c3cncc(C)n3)C2)C1=O
InChIInChI=1S/C16H24N4O2/c1-13-10-17-11-14(18-13)20-7-5-16(12-20)4-3-6-19(15(16)21)8-9-22-2/h10-11H,3-9,12H2,1-2H3
InChIKeyVMMCEEVLLOHIJN-UHFFFAOYSA-N
XLogP1.25
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(2-methoxyethyl)-2-(6-methylpyrazin-2-yl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-(2-methoxyethyl)-2-(6-methylpyrazin-2-yl)-2,7-diazaspiro[4.5]decan-6-one (CID 72852341) is 7-(2-methoxyethyl)-2-(6-methylpyrazin-2-yl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-(2-methoxyethyl)-2-(6-methylpyrazin-2-yl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-(2-methoxyethyl)-2-(6-methylpyrazin-2-yl)-2,7-diazaspiro[4.5]decan-6-one is COCCN1CCCC2(CCN(c3cncc(C)n3)C2)C1=O.
What is the InChIKey of 7-(2-methoxyethyl)-2-(6-methylpyrazin-2-yl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is VMMCEEVLLOHIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-13-10-17-11-14(18-13)20-7-5-16(12-20)4-3-6-19(15(16)21)8-9-22-2/h10-11H,3-9,12H2,1-2H3.
What are the key properties of 7-(2-methoxyethyl)-2-(6-methylpyrazin-2-yl)-2,7-diazaspiro[4.5]decan-6-one?
7-(2-methoxyethyl)-2-(6-methylpyrazin-2-yl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 304.39 g/mol, XLogP of 1.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxyethyl)-2-(6-methylpyrazin-2-yl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72852341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).