ethyl 5-amino-1-piperidin-4-ylimidazole-4-carboxylate

C11H18N4O2 — CID 86775501

IUPACethyl 5-amino-1-piperidin-4-ylimidazole-4-carboxylate
SMILESCCOC(=O)c1ncn(C2CCNCC2)c1N
InChIInChI=1S/C11H18N4O2/c1-2-17-11(16)9-10(12)15(7-14-9)8-3-5-13-6-4-8/h7-8,13H,2-6,12H2,1H3
InChIKeyKGFUXFGEVRMONM-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.57
Rot. Bonds3

About ethyl 5-amino-1-piperidin-4-ylimidazole-4-carboxylate

ethyl 5-amino-1-piperidin-4-ylimidazole-4-carboxylate (PubChem CID 86775501) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is ethyl 5-amino-1-piperidin-4-ylimidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-1-piperidin-4-ylimidazole-4-carboxylate
PubChem CID86775501
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Nameethyl 5-amino-1-piperidin-4-ylimidazole-4-carboxylate
SMILESCCOC(=O)c1ncn(C2CCNCC2)c1N
InChIInChI=1S/C11H18N4O2/c1-2-17-11(16)9-10(12)15(7-14-9)8-3-5-13-6-4-8/h7-8,13H,2-6,12H2,1H3
InChIKeyKGFUXFGEVRMONM-UHFFFAOYSA-N
XLogP0.57
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-1-piperidin-4-ylimidazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-1-piperidin-4-ylimidazole-4-carboxylate (CID 86775501) is ethyl 5-amino-1-piperidin-4-ylimidazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-1-piperidin-4-ylimidazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-1-piperidin-4-ylimidazole-4-carboxylate is CCOC(=O)c1ncn(C2CCNCC2)c1N.
What is the InChIKey of ethyl 5-amino-1-piperidin-4-ylimidazole-4-carboxylate?
The InChIKey is KGFUXFGEVRMONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-2-17-11(16)9-10(12)15(7-14-9)8-3-5-13-6-4-8/h7-8,13H,2-6,12H2,1H3.
What are the key properties of ethyl 5-amino-1-piperidin-4-ylimidazole-4-carboxylate?
ethyl 5-amino-1-piperidin-4-ylimidazole-4-carboxylate has a molecular weight of 238.29 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-1-piperidin-4-ylimidazole-4-carboxylate is sourced from PubChem (CID 86775501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).