(3-ethyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-(5-methylpyrazin-2-yl)methanone

C16H23N3O2 — CID 134074893

IUPAC(3-ethyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-(5-methylpyrazin-2-yl)methanone
SMILESCCC1COC2(CCN(C(=O)c3cnc(C)cn3)CC2)C1
InChIInChI=1S/C16H23N3O2/c1-3-13-8-16(21-11-13)4-6-19(7-5-16)15(20)14-10-17-12(2)9-18-14/h9-10,13H,3-8,11H2,1-2H3
InChIKeyIISUXTOPOYTDSJ-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.21
Rot. Bonds2

About (3-ethyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-(5-methylpyrazin-2-yl)methanone

(3-ethyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-(5-methylpyrazin-2-yl)methanone (PubChem CID 134074893) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is (3-ethyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-(5-methylpyrazin-2-yl)methanone.

Molecular Properties

Compound Name(3-ethyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-(5-methylpyrazin-2-yl)methanone
PubChem CID134074893
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name(3-ethyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-(5-methylpyrazin-2-yl)methanone
SMILESCCC1COC2(CCN(C(=O)c3cnc(C)cn3)CC2)C1
InChIInChI=1S/C16H23N3O2/c1-3-13-8-16(21-11-13)4-6-19(7-5-16)15(20)14-10-17-12(2)9-18-14/h9-10,13H,3-8,11H2,1-2H3
InChIKeyIISUXTOPOYTDSJ-UHFFFAOYSA-N
XLogP2.21
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-methylpyrazin-2-yl)-(3-phenyl-1-oxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 134078916
[(3S)-3-(cyclopropylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(5-methylpyrazin-2-yl)methanone
CID 97394897
[(3R)-3-(cyclopropylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(5-methylpyrazin-2-yl)methanone
CID 97394898
N-methyl-2-[[(3R)-8-(5-methylpyrazine-2-carbonyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]acetamide
CID 97394930
[(3S,5R)-3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazin-2-ylmethanone
CID 97488610
(3-ethyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-(furan-2-yl)methanone
CID 118741004
(3-ethyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-(thiadiazol-4-yl)methanone
CID 131687649
(2-ethoxy-7-azaspiro[3.5]nonan-7-yl)-(5-methylpyrazin-2-yl)methanone
CID 97451244
[4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(5-methylpyrazin-2-yl)methanone
CID 91919170
(2S)-N-cyclobutyl-6-(5-methylpyrazine-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 97493493
[(3S)-3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrazin-2-ylmethanone
CID 97450701
[(2S,3S)-5-(5-methylpyrazine-2-carbonyl)-5-azaspiro[2.4]heptan-2-yl]-pyrrolidin-1-ylmethanone
CID 97492777

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-(5-methylpyrazin-2-yl)methanone?
The IUPAC name of (3-ethyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-(5-methylpyrazin-2-yl)methanone (CID 134074893) is (3-ethyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-(5-methylpyrazin-2-yl)methanone.
What is the SMILES notation for (3-ethyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-(5-methylpyrazin-2-yl)methanone?
The canonical SMILES for (3-ethyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-(5-methylpyrazin-2-yl)methanone is CCC1COC2(CCN(C(=O)c3cnc(C)cn3)CC2)C1.
What is the InChIKey of (3-ethyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-(5-methylpyrazin-2-yl)methanone?
The InChIKey is IISUXTOPOYTDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-3-13-8-16(21-11-13)4-6-19(7-5-16)15(20)14-10-17-12(2)9-18-14/h9-10,13H,3-8,11H2,1-2H3.
What are the key properties of (3-ethyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-(5-methylpyrazin-2-yl)methanone?
(3-ethyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-(5-methylpyrazin-2-yl)methanone has a molecular weight of 289.38 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-(5-methylpyrazin-2-yl)methanone is sourced from PubChem (CID 134074893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).