7-(oxan-4-yl)-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-6-one

C17H24N4O2 — CID 72858882

IUPAC7-(oxan-4-yl)-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C1N(C2CCOCC2)CCCC12CCN(c1cnccn1)C2
InChIInChI=1S/C17H24N4O2/c22-16-17(4-1-8-21(16)14-2-10-23-11-3-14)5-9-20(13-17)15-12-18-6-7-19-15/h6-7,12,14H,1-5,8-11,13H2
InChIKeyNNHVLCXHJLWFMU-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.47
Rot. Bonds2

About 7-(oxan-4-yl)-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-6-one

7-(oxan-4-yl)-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72858882) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 7-(oxan-4-yl)-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-(oxan-4-yl)-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72858882
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name7-(oxan-4-yl)-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C1N(C2CCOCC2)CCCC12CCN(c1cnccn1)C2
InChIInChI=1S/C17H24N4O2/c22-16-17(4-1-8-21(16)14-2-10-23-11-3-14)5-9-20(13-17)15-12-18-6-7-19-15/h6-7,12,14H,1-5,8-11,13H2
InChIKeyNNHVLCXHJLWFMU-UHFFFAOYSA-N
XLogP1.47
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(oxan-4-yl)-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-(oxan-4-yl)-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-6-one (CID 72858882) is 7-(oxan-4-yl)-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-(oxan-4-yl)-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-(oxan-4-yl)-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-6-one is O=C1N(C2CCOCC2)CCCC12CCN(c1cnccn1)C2.
What is the InChIKey of 7-(oxan-4-yl)-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is NNHVLCXHJLWFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c22-16-17(4-1-8-21(16)14-2-10-23-11-3-14)5-9-20(13-17)15-12-18-6-7-19-15/h6-7,12,14H,1-5,8-11,13H2.
What are the key properties of 7-(oxan-4-yl)-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-6-one?
7-(oxan-4-yl)-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 316.41 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(oxan-4-yl)-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72858882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).