2-phenyl-1-[3-(pyrazin-2-ylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone

C20H24N4O2 — CID 118740740

IUPAC2-phenyl-1-[3-(pyrazin-2-ylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
SMILESO=C(Cc1ccccc1)N1CCC2(CC1)CC(Nc1cnccn1)CO2
InChIInChI=1S/C20H24N4O2/c25-19(12-16-4-2-1-3-5-16)24-10-6-20(7-11-24)13-17(15-26-20)23-18-14-21-8-9-22-18/h1-5,8-9,14,17H,6-7,10-13,15H2,(H,22,23)
InChIKeyKXRVMEZPQZGRQM-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.28
Rot. Bonds4

About 2-phenyl-1-[3-(pyrazin-2-ylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone

2-phenyl-1-[3-(pyrazin-2-ylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone (PubChem CID 118740740) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 2-phenyl-1-[3-(pyrazin-2-ylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone.

Molecular Properties

Compound Name2-phenyl-1-[3-(pyrazin-2-ylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
PubChem CID118740740
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name2-phenyl-1-[3-(pyrazin-2-ylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
SMILESO=C(Cc1ccccc1)N1CCC2(CC1)CC(Nc1cnccn1)CO2
InChIInChI=1S/C20H24N4O2/c25-19(12-16-4-2-1-3-5-16)24-10-6-20(7-11-24)13-17(15-26-20)23-18-14-21-8-9-22-18/h1-5,8-9,14,17H,6-7,10-13,15H2,(H,22,23)
InChIKeyKXRVMEZPQZGRQM-UHFFFAOYSA-N
XLogP2.28
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-[3-(pyrazin-2-ylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone?
The IUPAC name of 2-phenyl-1-[3-(pyrazin-2-ylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone (CID 118740740) is 2-phenyl-1-[3-(pyrazin-2-ylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone.
What is the SMILES notation for 2-phenyl-1-[3-(pyrazin-2-ylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone?
The canonical SMILES for 2-phenyl-1-[3-(pyrazin-2-ylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone is O=C(Cc1ccccc1)N1CCC2(CC1)CC(Nc1cnccn1)CO2.
What is the InChIKey of 2-phenyl-1-[3-(pyrazin-2-ylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone?
The InChIKey is KXRVMEZPQZGRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c25-19(12-16-4-2-1-3-5-16)24-10-6-20(7-11-24)13-17(15-26-20)23-18-14-21-8-9-22-18/h1-5,8-9,14,17H,6-7,10-13,15H2,(H,22,23).
What are the key properties of 2-phenyl-1-[3-(pyrazin-2-ylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone?
2-phenyl-1-[3-(pyrazin-2-ylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone has a molecular weight of 352.44 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-[3-(pyrazin-2-ylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone is sourced from PubChem (CID 118740740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).