ethyl 5-amino-1-[2-(1-methylpiperidin-4-yl)ethyl]imidazole-4-carboxylate

C14H24N4O2 — CID 114516601

IUPACethyl 5-amino-1-[2-(1-methylpiperidin-4-yl)ethyl]imidazole-4-carboxylate
SMILESCCOC(=O)c1ncn(CCC2CCN(C)CC2)c1N
InChIInChI=1S/C14H24N4O2/c1-3-20-14(19)12-13(15)18(10-16-12)9-6-11-4-7-17(2)8-5-11/h10-11H,3-9,15H2,1-2H3
InChIKeyMILWPFAGCFCROC-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.37
Rot. Bonds5

About ethyl 5-amino-1-[2-(1-methylpiperidin-4-yl)ethyl]imidazole-4-carboxylate

ethyl 5-amino-1-[2-(1-methylpiperidin-4-yl)ethyl]imidazole-4-carboxylate (PubChem CID 114516601) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is ethyl 5-amino-1-[2-(1-methylpiperidin-4-yl)ethyl]imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-1-[2-(1-methylpiperidin-4-yl)ethyl]imidazole-4-carboxylate
PubChem CID114516601
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Nameethyl 5-amino-1-[2-(1-methylpiperidin-4-yl)ethyl]imidazole-4-carboxylate
SMILESCCOC(=O)c1ncn(CCC2CCN(C)CC2)c1N
InChIInChI=1S/C14H24N4O2/c1-3-20-14(19)12-13(15)18(10-16-12)9-6-11-4-7-17(2)8-5-11/h10-11H,3-9,15H2,1-2H3
InChIKeyMILWPFAGCFCROC-UHFFFAOYSA-N
XLogP1.37
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-1-[2-(1-methylpiperidin-4-yl)ethyl]imidazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-1-[2-(1-methylpiperidin-4-yl)ethyl]imidazole-4-carboxylate (CID 114516601) is ethyl 5-amino-1-[2-(1-methylpiperidin-4-yl)ethyl]imidazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-1-[2-(1-methylpiperidin-4-yl)ethyl]imidazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-1-[2-(1-methylpiperidin-4-yl)ethyl]imidazole-4-carboxylate is CCOC(=O)c1ncn(CCC2CCN(C)CC2)c1N.
What is the InChIKey of ethyl 5-amino-1-[2-(1-methylpiperidin-4-yl)ethyl]imidazole-4-carboxylate?
The InChIKey is MILWPFAGCFCROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-3-20-14(19)12-13(15)18(10-16-12)9-6-11-4-7-17(2)8-5-11/h10-11H,3-9,15H2,1-2H3.
What are the key properties of ethyl 5-amino-1-[2-(1-methylpiperidin-4-yl)ethyl]imidazole-4-carboxylate?
ethyl 5-amino-1-[2-(1-methylpiperidin-4-yl)ethyl]imidazole-4-carboxylate has a molecular weight of 280.37 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-1-[2-(1-methylpiperidin-4-yl)ethyl]imidazole-4-carboxylate is sourced from PubChem (CID 114516601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).