[(3S)-3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrazin-2-ylmethanone

C15H21N3O3 — CID 97450701

IUPAC[(3S)-3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrazin-2-ylmethanone
SMILESCCO[C@@H]1COC2(CCN(C(=O)c3cnccn3)CC2)C1
InChIInChI=1S/C15H21N3O3/c1-2-20-12-9-15(21-11-12)3-7-18(8-4-15)14(19)13-10-16-5-6-17-13/h5-6,10,12H,2-4,7-9,11H2,1H3/t12-/m0/s1
InChIKeyRXCKWJDLRBMTKM-LBPRGKRZSA-N
MW291.35 g/mol
LogP1.28
Rot. Bonds3

About [(3S)-3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrazin-2-ylmethanone

[(3S)-3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrazin-2-ylmethanone (PubChem CID 97450701) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is [(3S)-3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[(3S)-3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrazin-2-ylmethanone
PubChem CID97450701
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name[(3S)-3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrazin-2-ylmethanone
SMILESCCO[C@@H]1COC2(CCN(C(=O)c3cnccn3)CC2)C1
InChIInChI=1S/C15H21N3O3/c1-2-20-12-9-15(21-11-12)3-7-18(8-4-15)14(19)13-10-16-5-6-17-13/h5-6,10,12H,2-4,7-9,11H2,1H3/t12-/m0/s1
InChIKeyRXCKWJDLRBMTKM-LBPRGKRZSA-N
XLogP1.28
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-pyridin-4-ylmethanone
CID 131657708
[4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-pyrazin-2-ylmethanone
CID 91918141
[(3R)-3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 97418817
[(3S)-3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-quinolin-2-ylmethanone
CID 97418796
[(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
pyridin-2-yl-[(3R)-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97395040
[3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrazin-2-ylmethanone
CID 131649158
N-methyl-2-[[(3R)-8-(5-methylpyrazine-2-carbonyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]acetamide
CID 97394930
(4,5-dimethylthiophen-2-yl)-[(3S)-3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97418808
(4-ethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-pyridin-4-ylmethanone
CID 91918170
[(3S,5R)-3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazin-2-ylmethanone
CID 97488610

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [(3S)-3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrazin-2-ylmethanone (CID 97450701) is [(3S)-3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [(3S)-3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [(3S)-3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrazin-2-ylmethanone is CCO[C@@H]1COC2(CCN(C(=O)c3cnccn3)CC2)C1.
What is the InChIKey of [(3S)-3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrazin-2-ylmethanone?
The InChIKey is RXCKWJDLRBMTKM-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-2-20-12-9-15(21-11-12)3-7-18(8-4-15)14(19)13-10-16-5-6-17-13/h5-6,10,12H,2-4,7-9,11H2,1H3/t12-/m0/s1.
What are the key properties of [(3S)-3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrazin-2-ylmethanone?
[(3S)-3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrazin-2-ylmethanone has a molecular weight of 291.35 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 97450701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).