ethyl 5-amino-2-methyl-1-(1-methyl-6-oxopiperidin-3-yl)imidazole-4-carboxylate

C13H20N4O3 — CID 64669405

IUPACethyl 5-amino-2-methyl-1-(1-methyl-6-oxopiperidin-3-yl)imidazole-4-carboxylate
SMILESCCOC(=O)c1nc(C)n(C2CCC(=O)N(C)C2)c1N
InChIInChI=1S/C13H20N4O3/c1-4-20-13(19)11-12(14)17(8(2)15-11)9-5-6-10(18)16(3)7-9/h9H,4-7,14H2,1-3H3
InChIKeySNRRYTDZMZKEHT-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.74
Rot. Bonds3

About ethyl 5-amino-2-methyl-1-(1-methyl-6-oxopiperidin-3-yl)imidazole-4-carboxylate

ethyl 5-amino-2-methyl-1-(1-methyl-6-oxopiperidin-3-yl)imidazole-4-carboxylate (PubChem CID 64669405) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is ethyl 5-amino-2-methyl-1-(1-methyl-6-oxopiperidin-3-yl)imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-2-methyl-1-(1-methyl-6-oxopiperidin-3-yl)imidazole-4-carboxylate
PubChem CID64669405
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Nameethyl 5-amino-2-methyl-1-(1-methyl-6-oxopiperidin-3-yl)imidazole-4-carboxylate
SMILESCCOC(=O)c1nc(C)n(C2CCC(=O)N(C)C2)c1N
InChIInChI=1S/C13H20N4O3/c1-4-20-13(19)11-12(14)17(8(2)15-11)9-5-6-10(18)16(3)7-9/h9H,4-7,14H2,1-3H3
InChIKeySNRRYTDZMZKEHT-UHFFFAOYSA-N
XLogP0.74
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-2-methyl-1-(1-methyl-6-oxopiperidin-3-yl)imidazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-2-methyl-1-(1-methyl-6-oxopiperidin-3-yl)imidazole-4-carboxylate (CID 64669405) is ethyl 5-amino-2-methyl-1-(1-methyl-6-oxopiperidin-3-yl)imidazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-2-methyl-1-(1-methyl-6-oxopiperidin-3-yl)imidazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-2-methyl-1-(1-methyl-6-oxopiperidin-3-yl)imidazole-4-carboxylate is CCOC(=O)c1nc(C)n(C2CCC(=O)N(C)C2)c1N.
What is the InChIKey of ethyl 5-amino-2-methyl-1-(1-methyl-6-oxopiperidin-3-yl)imidazole-4-carboxylate?
The InChIKey is SNRRYTDZMZKEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-4-20-13(19)11-12(14)17(8(2)15-11)9-5-6-10(18)16(3)7-9/h9H,4-7,14H2,1-3H3.
What are the key properties of ethyl 5-amino-2-methyl-1-(1-methyl-6-oxopiperidin-3-yl)imidazole-4-carboxylate?
ethyl 5-amino-2-methyl-1-(1-methyl-6-oxopiperidin-3-yl)imidazole-4-carboxylate has a molecular weight of 280.33 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-2-methyl-1-(1-methyl-6-oxopiperidin-3-yl)imidazole-4-carboxylate is sourced from PubChem (CID 64669405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).