8-(2-methoxyacetyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one

C18H26N4O3 — CID 70756102

IUPAC8-(2-methoxyacetyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCOCC(=O)N1CCCC2(CCC(=O)N(Cc3cnc(C)cn3)C2)C1
InChIInChI=1S/C18H26N4O3/c1-14-8-20-15(9-19-14)10-22-13-18(6-4-16(22)23)5-3-7-21(12-18)17(24)11-25-2/h8-9H,3-7,10-13H2,1-2H3
InChIKeyAVXZKUJGPIZUCD-UHFFFAOYSA-N
MW346.43 g/mol
LogP1.16
Rot. Bonds4

About 8-(2-methoxyacetyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one

8-(2-methoxyacetyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70756102) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 8-(2-methoxyacetyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name8-(2-methoxyacetyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID70756102
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name8-(2-methoxyacetyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCOCC(=O)N1CCCC2(CCC(=O)N(Cc3cnc(C)cn3)C2)C1
InChIInChI=1S/C18H26N4O3/c1-14-8-20-15(9-19-14)10-22-13-18(6-4-16(22)23)5-3-7-21(12-18)17(24)11-25-2/h8-9H,3-7,10-13H2,1-2H3
InChIKeyAVXZKUJGPIZUCD-UHFFFAOYSA-N
XLogP1.16
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(2-methoxyacetyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 8-(2-methoxyacetyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one (CID 70756102) is 8-(2-methoxyacetyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 8-(2-methoxyacetyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 8-(2-methoxyacetyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one is COCC(=O)N1CCCC2(CCC(=O)N(Cc3cnc(C)cn3)C2)C1.
What is the InChIKey of 8-(2-methoxyacetyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is AVXZKUJGPIZUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-14-8-20-15(9-19-14)10-22-13-18(6-4-16(22)23)5-3-7-21(12-18)17(24)11-25-2/h8-9H,3-7,10-13H2,1-2H3.
What are the key properties of 8-(2-methoxyacetyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
8-(2-methoxyacetyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 346.43 g/mol, XLogP of 1.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methoxyacetyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70756102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).