ethyl 3-(8-azaspiro[4.5]decan-8-yl)-5-methylpyrazine-2-carboxylate

C17H25N3O2 — CID 145442794

IUPACethyl 3-(8-azaspiro[4.5]decan-8-yl)-5-methylpyrazine-2-carboxylate
SMILESCCOC(=O)c1ncc(C)nc1N1CCC2(CCCC2)CC1
InChIInChI=1S/C17H25N3O2/c1-3-22-16(21)14-15(19-13(2)12-18-14)20-10-8-17(9-11-20)6-4-5-7-17/h12H,3-11H2,1-2H3
InChIKeyXSFCVXSJGRKNDV-UHFFFAOYSA-N
MW303.41 g/mol
LogP3.12
Rot. Bonds3

About ethyl 3-(8-azaspiro[4.5]decan-8-yl)-5-methylpyrazine-2-carboxylate

ethyl 3-(8-azaspiro[4.5]decan-8-yl)-5-methylpyrazine-2-carboxylate (PubChem CID 145442794) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is ethyl 3-(8-azaspiro[4.5]decan-8-yl)-5-methylpyrazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-(8-azaspiro[4.5]decan-8-yl)-5-methylpyrazine-2-carboxylate
PubChem CID145442794
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Nameethyl 3-(8-azaspiro[4.5]decan-8-yl)-5-methylpyrazine-2-carboxylate
SMILESCCOC(=O)c1ncc(C)nc1N1CCC2(CCCC2)CC1
InChIInChI=1S/C17H25N3O2/c1-3-22-16(21)14-15(19-13(2)12-18-14)20-10-8-17(9-11-20)6-4-5-7-17/h12H,3-11H2,1-2H3
InChIKeyXSFCVXSJGRKNDV-UHFFFAOYSA-N
XLogP3.12
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 3-(8-azaspiro[4.5]decan-8-yl)-5-methylpyrazine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl 6-(2,6-dimethylmorpholin-4-yl)pyrazine-2-carboxylate
CID 479363
methyl 5-[[(2R)-1-ethylpiperidin-2-yl]methylamino]pyrazine-2-carboxylate
CID 164633592
Methyl 5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carboxylate
CID 67151827
Methyl 6-(4,4-difluoro-3-methylpiperidin-1-yl)pyrazine-2-carboxylate
CID 167450642
Methyl 6-(4,4-difluoropiperidin-1-yl)pyrazine-2-carboxylate
CID 167450807
Methyl 5-(3-ethyl-4-fluoropyrrolidin-1-yl)pyrazine-2-carboxylate
CID 168393963
Methyl 6-[4-(trifluoromethyl)piperidin-1-yl]pyrazine-2-carboxylate
CID 66449182
Methyl 6-[3-(trifluoromethyl)piperidin-1-yl]pyrazine-2-carboxylate
CID 66451932
Methyl 5-[3-(trifluoromethyl)piperidin-1-yl]pyrazine-2-carboxylate
CID 108255613
Methyl 5-[4-(trifluoromethyl)piperidin-1-yl]pyrazine-2-carboxylate
CID 108255614
Methyl 6-[methyl-[(1-methylpiperidin-3-yl)methyl]amino]pyrazine-2-carboxylate;2,2,2-trifluoroacetic acid
CID 167901929
Methyl 5-{4-[(1-cyclobutyl-4-piperidinyl)methyl]-1-piperidinyl}-2-pyrazinecarboxylate
CID 11501627

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(8-azaspiro[4.5]decan-8-yl)-5-methylpyrazine-2-carboxylate?
The IUPAC name of ethyl 3-(8-azaspiro[4.5]decan-8-yl)-5-methylpyrazine-2-carboxylate (CID 145442794) is ethyl 3-(8-azaspiro[4.5]decan-8-yl)-5-methylpyrazine-2-carboxylate.
What is the SMILES notation for ethyl 3-(8-azaspiro[4.5]decan-8-yl)-5-methylpyrazine-2-carboxylate?
The canonical SMILES for ethyl 3-(8-azaspiro[4.5]decan-8-yl)-5-methylpyrazine-2-carboxylate is CCOC(=O)c1ncc(C)nc1N1CCC2(CCCC2)CC1.
What is the InChIKey of ethyl 3-(8-azaspiro[4.5]decan-8-yl)-5-methylpyrazine-2-carboxylate?
The InChIKey is XSFCVXSJGRKNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-3-22-16(21)14-15(19-13(2)12-18-14)20-10-8-17(9-11-20)6-4-5-7-17/h12H,3-11H2,1-2H3.
What are the key properties of ethyl 3-(8-azaspiro[4.5]decan-8-yl)-5-methylpyrazine-2-carboxylate?
ethyl 3-(8-azaspiro[4.5]decan-8-yl)-5-methylpyrazine-2-carboxylate has a molecular weight of 303.41 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(8-azaspiro[4.5]decan-8-yl)-5-methylpyrazine-2-carboxylate is sourced from PubChem (CID 145442794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).