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

C14H22N4O3 — CID 64669606

IUPACethyl 5-amino-2-ethyl-1-(1-methyl-6-oxopiperidin-3-yl)imidazole-4-carboxylate
SMILESCCOC(=O)c1nc(CC)n(C2CCC(=O)N(C)C2)c1N
InChIInChI=1S/C14H22N4O3/c1-4-10-16-12(14(20)21-5-2)13(15)18(10)9-6-7-11(19)17(3)8-9/h9H,4-8,15H2,1-3H3
InChIKeyVTJATQXMYMOYIO-UHFFFAOYSA-N
MW294.36 g/mol
LogP1.00
Rot. Bonds4

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

ethyl 5-amino-2-ethyl-1-(1-methyl-6-oxopiperidin-3-yl)imidazole-4-carboxylate (PubChem CID 64669606) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is ethyl 5-amino-2-ethyl-1-(1-methyl-6-oxopiperidin-3-yl)imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-2-ethyl-1-(1-methyl-6-oxopiperidin-3-yl)imidazole-4-carboxylate
PubChem CID64669606
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC Nameethyl 5-amino-2-ethyl-1-(1-methyl-6-oxopiperidin-3-yl)imidazole-4-carboxylate
SMILESCCOC(=O)c1nc(CC)n(C2CCC(=O)N(C)C2)c1N
InChIInChI=1S/C14H22N4O3/c1-4-10-16-12(14(20)21-5-2)13(15)18(10)9-6-7-11(19)17(3)8-9/h9H,4-8,15H2,1-3H3
InChIKeyVTJATQXMYMOYIO-UHFFFAOYSA-N
XLogP1.00
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 51.00
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-ethyl-1-(1-methyl-6-oxopiperidin-3-yl)imidazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-2-ethyl-1-(1-methyl-6-oxopiperidin-3-yl)imidazole-4-carboxylate (CID 64669606) is ethyl 5-amino-2-ethyl-1-(1-methyl-6-oxopiperidin-3-yl)imidazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-2-ethyl-1-(1-methyl-6-oxopiperidin-3-yl)imidazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-2-ethyl-1-(1-methyl-6-oxopiperidin-3-yl)imidazole-4-carboxylate is CCOC(=O)c1nc(CC)n(C2CCC(=O)N(C)C2)c1N.
What is the InChIKey of ethyl 5-amino-2-ethyl-1-(1-methyl-6-oxopiperidin-3-yl)imidazole-4-carboxylate?
The InChIKey is VTJATQXMYMOYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-4-10-16-12(14(20)21-5-2)13(15)18(10)9-6-7-11(19)17(3)8-9/h9H,4-8,15H2,1-3H3.
What are the key properties of ethyl 5-amino-2-ethyl-1-(1-methyl-6-oxopiperidin-3-yl)imidazole-4-carboxylate?
ethyl 5-amino-2-ethyl-1-(1-methyl-6-oxopiperidin-3-yl)imidazole-4-carboxylate has a molecular weight of 294.36 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-2-ethyl-1-(1-methyl-6-oxopiperidin-3-yl)imidazole-4-carboxylate is sourced from PubChem (CID 64669606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).