pyrazin-2-yl-[(3S)-3-(pyrazin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone

C18H21N5O2 — CID 124978485

IUPACpyrazin-2-yl-[(3S)-3-(pyrazin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
SMILESO=C(c1cnccn1)N1CCC2(CC1)CO[C@H](Cc1cnccn1)C2
InChIInChI=1S/C18H21N5O2/c24-17(16-12-20-4-6-22-16)23-7-1-18(2-8-23)10-15(25-13-18)9-14-11-19-3-5-21-14/h3-6,11-12,15H,1-2,7-10,13H2/t15-/m1/s1
InChIKeyLUEPBMVPOYHYMU-OAHLLOKOSA-N
MW339.40 g/mol
LogP1.52
Rot. Bonds3

About pyrazin-2-yl-[(3S)-3-(pyrazin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone

pyrazin-2-yl-[(3S)-3-(pyrazin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone (PubChem CID 124978485) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is pyrazin-2-yl-[(3S)-3-(pyrazin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone.

Molecular Properties

Compound Namepyrazin-2-yl-[(3S)-3-(pyrazin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
PubChem CID124978485
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Namepyrazin-2-yl-[(3S)-3-(pyrazin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
SMILESO=C(c1cnccn1)N1CCC2(CC1)CO[C@H](Cc1cnccn1)C2
InChIInChI=1S/C18H21N5O2/c24-17(16-12-20-4-6-22-16)23-7-1-18(2-8-23)10-15(25-13-18)9-14-11-19-3-5-21-14/h3-6,11-12,15H,1-2,7-10,13H2/t15-/m1/s1
InChIKeyLUEPBMVPOYHYMU-OAHLLOKOSA-N
XLogP1.52
TPSA81.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(3R)-3-(pyrazin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-2-ylmethanone
CID 125017858
[(3R)-3-(pyrazin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone
CID 125015393
pyrazin-2-yl-[(7S)-7-(pyridin-3-ylmethyl)-6-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 124958270
pyrazin-2-yl-(2-pyridin-3-yloxy-7-azaspiro[3.5]nonan-7-yl)methanone
CID 97451301
[4-methyl-4-(methylamino)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 115304614
[(3R)-3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone
CID 97422987
[3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone
CID 131643944
cyclohexyl-[(3R)-3-(pyridin-3-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 125009836
[(3S)-3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrazin-2-ylmethanone
CID 97450701
[(3R)-3-[(2-chlorophenyl)methyl]-2-oxa-8-azaspiro[4.5]decan-8-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone
CID 124980291
furan-3-yl-[3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 131644782
pyridin-3-yl-[(3S)-3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97418449

Frequently Asked Questions

What is the IUPAC name of pyrazin-2-yl-[(3S)-3-(pyrazin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
The IUPAC name of pyrazin-2-yl-[(3S)-3-(pyrazin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone (CID 124978485) is pyrazin-2-yl-[(3S)-3-(pyrazin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone.
What is the SMILES notation for pyrazin-2-yl-[(3S)-3-(pyrazin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
The canonical SMILES for pyrazin-2-yl-[(3S)-3-(pyrazin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone is O=C(c1cnccn1)N1CCC2(CC1)CO[C@H](Cc1cnccn1)C2.
What is the InChIKey of pyrazin-2-yl-[(3S)-3-(pyrazin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
The InChIKey is LUEPBMVPOYHYMU-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H21N5O2/c24-17(16-12-20-4-6-22-16)23-7-1-18(2-8-23)10-15(25-13-18)9-14-11-19-3-5-21-14/h3-6,11-12,15H,1-2,7-10,13H2/t15-/m1/s1.
What are the key properties of pyrazin-2-yl-[(3S)-3-(pyrazin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
pyrazin-2-yl-[(3S)-3-(pyrazin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone has a molecular weight of 339.40 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazin-2-yl-[(3S)-3-(pyrazin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone is sourced from PubChem (CID 124978485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).