8-(3,6-dimethylpyrazin-2-yl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one

C18H28N4O — CID 72896140

IUPAC8-(3,6-dimethylpyrazin-2-yl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCc1cnc(C)c(N2CCC3(CC2)CC(=O)N(CC(C)C)C3)n1
InChIInChI=1S/C18H28N4O/c1-13(2)11-22-12-18(9-16(22)23)5-7-21(8-6-18)17-15(4)19-10-14(3)20-17/h10,13H,5-9,11-12H2,1-4H3
InChIKeyWPNGWIGQSVWSAW-UHFFFAOYSA-N
MW316.45 g/mol
LogP2.57
Rot. Bonds3

About 8-(3,6-dimethylpyrazin-2-yl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one

8-(3,6-dimethylpyrazin-2-yl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 72896140) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is 8-(3,6-dimethylpyrazin-2-yl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-(3,6-dimethylpyrazin-2-yl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one
PubChem CID72896140
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name8-(3,6-dimethylpyrazin-2-yl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCc1cnc(C)c(N2CCC3(CC2)CC(=O)N(CC(C)C)C3)n1
InChIInChI=1S/C18H28N4O/c1-13(2)11-22-12-18(9-16(22)23)5-7-21(8-6-18)17-15(4)19-10-14(3)20-17/h10,13H,5-9,11-12H2,1-4H3
InChIKeyWPNGWIGQSVWSAW-UHFFFAOYSA-N
XLogP2.57
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(3,6-dimethylpyrazin-2-yl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-(3,6-dimethylpyrazin-2-yl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one (CID 72896140) is 8-(3,6-dimethylpyrazin-2-yl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-(3,6-dimethylpyrazin-2-yl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-(3,6-dimethylpyrazin-2-yl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one is Cc1cnc(C)c(N2CCC3(CC2)CC(=O)N(CC(C)C)C3)n1.
What is the InChIKey of 8-(3,6-dimethylpyrazin-2-yl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is WPNGWIGQSVWSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c1-13(2)11-22-12-18(9-16(22)23)5-7-21(8-6-18)17-15(4)19-10-14(3)20-17/h10,13H,5-9,11-12H2,1-4H3.
What are the key properties of 8-(3,6-dimethylpyrazin-2-yl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one?
8-(3,6-dimethylpyrazin-2-yl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 316.45 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,6-dimethylpyrazin-2-yl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 72896140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).