methyl 6-bromo-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxylate

C14H18BrN3O3 — CID 146477668

IUPACmethyl 6-bromo-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxylate
SMILESCOC(=O)c1nc(Br)cnc1N1CCC2(CCOC2)CC1
InChIInChI=1S/C14H18BrN3O3/c1-20-13(19)11-12(16-8-10(15)17-11)18-5-2-14(3-6-18)4-7-21-9-14/h8H,2-7,9H2,1H3
InChIKeyOYQNEWQQWTZUIR-UHFFFAOYSA-N
MW356.22 g/mol
LogP2.03
Rot. Bonds2

About methyl 6-bromo-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxylate

methyl 6-bromo-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxylate (PubChem CID 146477668) has the molecular formula C14H18BrN3O3 and a molecular weight of 356.22 g/mol. Its IUPAC name is methyl 6-bromo-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-bromo-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxylate
PubChem CID146477668
Molecular FormulaC14H18BrN3O3
Molecular Weight356.22 g/mol
Exact Mass355.05
IUPAC Namemethyl 6-bromo-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxylate
SMILESCOC(=O)c1nc(Br)cnc1N1CCC2(CCOC2)CC1
InChIInChI=1S/C14H18BrN3O3/c1-20-13(19)11-12(16-8-10(15)17-11)18-5-2-14(3-6-18)4-7-21-9-14/h8H,2-7,9H2,1H3
InChIKeyOYQNEWQQWTZUIR-UHFFFAOYSA-N
XLogP2.03
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 6-bromo-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxylate?
The IUPAC name of methyl 6-bromo-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxylate (CID 146477668) is methyl 6-bromo-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-bromo-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-bromo-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxylate is COC(=O)c1nc(Br)cnc1N1CCC2(CCOC2)CC1.
What is the InChIKey of methyl 6-bromo-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxylate?
The InChIKey is OYQNEWQQWTZUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O3/c1-20-13(19)11-12(16-8-10(15)17-11)18-5-2-14(3-6-18)4-7-21-9-14/h8H,2-7,9H2,1H3.
What are the key properties of methyl 6-bromo-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxylate?
methyl 6-bromo-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxylate has a molecular weight of 356.22 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-bromo-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxylate is sourced from PubChem (CID 146477668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).