methyl 5-amino-2-methyl-1-piperidin-1-ylimidazole-4-carboxylate

C11H18N4O2 — CID 103545937

IUPACmethyl 5-amino-2-methyl-1-piperidin-1-ylimidazole-4-carboxylate
SMILESCOC(=O)c1nc(C)n(N2CCCCC2)c1N
InChIInChI=1S/C11H18N4O2/c1-8-13-9(11(16)17-2)10(12)15(8)14-6-4-3-5-7-14/h3-7,12H2,1-2H3
InChIKeyQMQGNVSXBLMZTE-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.68
Rot. Bonds2

About methyl 5-amino-2-methyl-1-piperidin-1-ylimidazole-4-carboxylate

methyl 5-amino-2-methyl-1-piperidin-1-ylimidazole-4-carboxylate (PubChem CID 103545937) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is methyl 5-amino-2-methyl-1-piperidin-1-ylimidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-2-methyl-1-piperidin-1-ylimidazole-4-carboxylate
PubChem CID103545937
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Namemethyl 5-amino-2-methyl-1-piperidin-1-ylimidazole-4-carboxylate
SMILESCOC(=O)c1nc(C)n(N2CCCCC2)c1N
InChIInChI=1S/C11H18N4O2/c1-8-13-9(11(16)17-2)10(12)15(8)14-6-4-3-5-7-14/h3-7,12H2,1-2H3
InChIKeyQMQGNVSXBLMZTE-UHFFFAOYSA-N
XLogP0.68
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-amino-1-(2-amino-2-oxoethyl)-2-methylimidazole-4-carboxylate
CID 103544391
methyl 5-amino-1-(2,2-dimethylcyclopentyl)-2-methylimidazole-4-carboxylate
CID 103545771
dimethyl 3,6-diaminopyrazine-2,5-dicarboxylate
CID 15404197
methyl 5-amino-1-(2-ethoxy-2-oxoethyl)-2-methylimidazole-4-carboxylate
CID 103544847
methyl 5-amino-2-methyl-1-(3-methylcyclopentyl)imidazole-4-carboxylate
CID 103546279
methyl 5-amino-2-methyl-1-(2-methylsulfanylethyl)imidazole-4-carboxylate
CID 103545530
ethyl 5-amino-2-ethyl-1-(4-methylpiperazin-1-yl)imidazole-4-carboxylate
CID 83023157
methyl 5-amino-1-(3,4-dimethylcyclohexyl)-2-methylimidazole-4-carboxylate
CID 103545632
methyl 5-amino-1-hex-1-yn-3-yl-2-methylimidazole-4-carboxylate
CID 106223728
methyl 5-amino-1-(3,4-dimethylphenyl)-2-methylimidazole-4-carboxylate
CID 103544306
methyl 5-amino-1-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylimidazole-4-carboxylate
CID 103544798
methyl 5-amino-2-methyl-1-[(E)-pent-3-enyl]imidazole-4-carboxylate
CID 103546104

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-2-methyl-1-piperidin-1-ylimidazole-4-carboxylate?
The IUPAC name of methyl 5-amino-2-methyl-1-piperidin-1-ylimidazole-4-carboxylate (CID 103545937) is methyl 5-amino-2-methyl-1-piperidin-1-ylimidazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-2-methyl-1-piperidin-1-ylimidazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-2-methyl-1-piperidin-1-ylimidazole-4-carboxylate is COC(=O)c1nc(C)n(N2CCCCC2)c1N.
What is the InChIKey of methyl 5-amino-2-methyl-1-piperidin-1-ylimidazole-4-carboxylate?
The InChIKey is QMQGNVSXBLMZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-8-13-9(11(16)17-2)10(12)15(8)14-6-4-3-5-7-14/h3-7,12H2,1-2H3.
What are the key properties of methyl 5-amino-2-methyl-1-piperidin-1-ylimidazole-4-carboxylate?
methyl 5-amino-2-methyl-1-piperidin-1-ylimidazole-4-carboxylate has a molecular weight of 238.29 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-2-methyl-1-piperidin-1-ylimidazole-4-carboxylate is sourced from PubChem (CID 103545937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).