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

C14H22N4O2 — CID 156711701

IUPAC3-(4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl)-6-ethyl-1H-pyrazin-2-one
SMILESCCc1cnc(N2CCC3(CC2)COCC3N)c(=O)[nH]1
InChIInChI=1S/C14H22N4O2/c1-2-10-7-16-12(13(19)17-10)18-5-3-14(4-6-18)9-20-8-11(14)15/h7,11H,2-6,8-9,15H2,1H3,(H,17,19)
InChIKeyXBIJXVNVDVVBMU-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.28
Rot. Bonds2

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

3-(4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl)-6-ethyl-1H-pyrazin-2-one (PubChem CID 156711701) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 3-(4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl)-6-ethyl-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-(4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl)-6-ethyl-1H-pyrazin-2-one
PubChem CID156711701
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name3-(4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl)-6-ethyl-1H-pyrazin-2-one
SMILESCCc1cnc(N2CCC3(CC2)COCC3N)c(=O)[nH]1
InChIInChI=1S/C14H22N4O2/c1-2-10-7-16-12(13(19)17-10)18-5-3-14(4-6-18)9-20-8-11(14)15/h7,11H,2-6,8-9,15H2,1H3,(H,17,19)
InChIKeyXBIJXVNVDVVBMU-UHFFFAOYSA-N
XLogP0.28
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.28
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-ethyl-1H-pyrazin-2-one?
The IUPAC name of 3-(4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl)-6-ethyl-1H-pyrazin-2-one (CID 156711701) is 3-(4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl)-6-ethyl-1H-pyrazin-2-one.
What is the SMILES notation for 3-(4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl)-6-ethyl-1H-pyrazin-2-one?
The canonical SMILES for 3-(4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl)-6-ethyl-1H-pyrazin-2-one is CCc1cnc(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-ethyl-1H-pyrazin-2-one?
The InChIKey is XBIJXVNVDVVBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-2-10-7-16-12(13(19)17-10)18-5-3-14(4-6-18)9-20-8-11(14)15/h7,11H,2-6,8-9,15H2,1H3,(H,17,19).
What are the key properties of 3-(4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl)-6-ethyl-1H-pyrazin-2-one?
3-(4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl)-6-ethyl-1H-pyrazin-2-one has a molecular weight of 278.36 g/mol, XLogP of 0.28, 2 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-ethyl-1H-pyrazin-2-one is sourced from PubChem (CID 156711701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).