3-(4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl)-6-tert-butyl-1H-pyrazin-2-one

C16H26N4O2 — CID 139526027

IUPAC3-(4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl)-6-tert-butyl-1H-pyrazin-2-one
SMILESCC(C)(C)c1cnc(N2CCC3(CC2)COCC3N)c(=O)[nH]1
InChIInChI=1S/C16H26N4O2/c1-15(2,3)12-8-18-13(14(21)19-12)20-6-4-16(5-7-20)10-22-9-11(16)17/h8,11H,4-7,9-10,17H2,1-3H3,(H,19,21)
InChIKeyFOKUSNXMWARZFF-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.01
Rot. Bonds1

About 3-(4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl)-6-tert-butyl-1H-pyrazin-2-one

3-(4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl)-6-tert-butyl-1H-pyrazin-2-one (PubChem CID 139526027) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 3-(4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl)-6-tert-butyl-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-(4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl)-6-tert-butyl-1H-pyrazin-2-one
PubChem CID139526027
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name3-(4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl)-6-tert-butyl-1H-pyrazin-2-one
SMILESCC(C)(C)c1cnc(N2CCC3(CC2)COCC3N)c(=O)[nH]1
InChIInChI=1S/C16H26N4O2/c1-15(2,3)12-8-18-13(14(21)19-12)20-6-4-16(5-7-20)10-22-9-11(16)17/h8,11H,4-7,9-10,17H2,1-3H3,(H,19,21)
InChIKeyFOKUSNXMWARZFF-UHFFFAOYSA-N
XLogP1.01
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl)-6-tert-butyl-1H-pyrazin-2-one?
The IUPAC name of 3-(4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl)-6-tert-butyl-1H-pyrazin-2-one (CID 139526027) is 3-(4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl)-6-tert-butyl-1H-pyrazin-2-one.
What is the SMILES notation for 3-(4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl)-6-tert-butyl-1H-pyrazin-2-one?
The canonical SMILES for 3-(4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl)-6-tert-butyl-1H-pyrazin-2-one is CC(C)(C)c1cnc(N2CCC3(CC2)COCC3N)c(=O)[nH]1.
What is the InChIKey of 3-(4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl)-6-tert-butyl-1H-pyrazin-2-one?
The InChIKey is FOKUSNXMWARZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-15(2,3)12-8-18-13(14(21)19-12)20-6-4-16(5-7-20)10-22-9-11(16)17/h8,11H,4-7,9-10,17H2,1-3H3,(H,19,21).
What are the key properties of 3-(4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl)-6-tert-butyl-1H-pyrazin-2-one?
3-(4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl)-6-tert-butyl-1H-pyrazin-2-one has a molecular weight of 306.41 g/mol, XLogP of 1.01, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl)-6-tert-butyl-1H-pyrazin-2-one is sourced from PubChem (CID 139526027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).