2-methoxy-1-[8-(6-methylpyrazin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone

C15H21N3O4 — CID 131692619

IUPAC2-methoxy-1-[8-(6-methylpyrazin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone
SMILESCOCC(=O)N1CC2(CC(Oc3cncc(C)n3)CCO2)C1
InChIInChI=1S/C15H21N3O4/c1-11-6-16-7-13(17-11)22-12-3-4-21-15(5-12)9-18(10-15)14(19)8-20-2/h6-7,12H,3-5,8-10H2,1-2H3
InChIKeyYPISPZKKDSMZNT-UHFFFAOYSA-N
MW307.35 g/mol
LogP0.57
Rot. Bonds4

About 2-methoxy-1-[8-(6-methylpyrazin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone

2-methoxy-1-[8-(6-methylpyrazin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone (PubChem CID 131692619) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-methoxy-1-[8-(6-methylpyrazin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[8-(6-methylpyrazin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone
PubChem CID131692619
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC Name2-methoxy-1-[8-(6-methylpyrazin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone
SMILESCOCC(=O)N1CC2(CC(Oc3cncc(C)n3)CCO2)C1
InChIInChI=1S/C15H21N3O4/c1-11-6-16-7-13(17-11)22-12-3-4-21-15(5-12)9-18(10-15)14(19)8-20-2/h6-7,12H,3-5,8-10H2,1-2H3
InChIKeyYPISPZKKDSMZNT-UHFFFAOYSA-N
XLogP0.57
TPSA73.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[8-(6-methylpyrazin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-thiophen-3-ylethanone
CID 133139352
(5-cyclopropyl-1,2-oxazol-3-yl)-[(8R)-8-(6-methylpyrazin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 124913096
(5-methylpyrazin-2-yl)-(8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone
CID 131649493
N,N-dimethyl-6-[(8R)-8-(6-methylpyrazin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-amine
CID 124816205
cyclopent-3-en-1-yl-[(8S)-8-[2-(6-methylpyrazin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 124913329
N,N-dimethyl-6-[(8S)-8-(6-methylpyrazin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-amine
CID 124816204
2-(2-methylphenyl)-1-[(8R)-8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone
CID 124821943
(1-ethylpiperidin-4-yl)-[(8R)-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 124830917
(3-methyl-1,2-oxazol-5-yl)-[(8R)-8-[2-(6-methylpyrazin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 124913132
3-methoxy-1-[(8R)-8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]propan-1-one
CID 124795283
2-methoxy-1-[(8R)-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone
CID 124791670
1,3-oxazol-4-yl-(8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone
CID 133139925

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[8-(6-methylpyrazin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone?
The IUPAC name of 2-methoxy-1-[8-(6-methylpyrazin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone (CID 131692619) is 2-methoxy-1-[8-(6-methylpyrazin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[8-(6-methylpyrazin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[8-(6-methylpyrazin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone is COCC(=O)N1CC2(CC(Oc3cncc(C)n3)CCO2)C1.
What is the InChIKey of 2-methoxy-1-[8-(6-methylpyrazin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone?
The InChIKey is YPISPZKKDSMZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4/c1-11-6-16-7-13(17-11)22-12-3-4-21-15(5-12)9-18(10-15)14(19)8-20-2/h6-7,12H,3-5,8-10H2,1-2H3.
What are the key properties of 2-methoxy-1-[8-(6-methylpyrazin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone?
2-methoxy-1-[8-(6-methylpyrazin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone has a molecular weight of 307.35 g/mol, XLogP of 0.57, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[8-(6-methylpyrazin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone is sourced from PubChem (CID 131692619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).