ethyl 4-[2-(4-imidazol-1-ylphenoxy)ethyl]piperazine-1-carboxylate

C18H24N4O3 — CID 10154555

IUPACethyl 4-[2-(4-imidazol-1-ylphenoxy)ethyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CCOc2ccc(-n3ccnc3)cc2)CC1
InChIInChI=1S/C18H24N4O3/c1-2-24-18(23)21-11-9-20(10-12-21)13-14-25-17-5-3-16(4-6-17)22-8-7-19-15-22/h3-8,15H,2,9-14H2,1H3
InChIKeyGGPFRXPJXXCZQB-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.03
Rot. Bonds6

About ethyl 4-[2-(4-imidazol-1-ylphenoxy)ethyl]piperazine-1-carboxylate

ethyl 4-[2-(4-imidazol-1-ylphenoxy)ethyl]piperazine-1-carboxylate (PubChem CID 10154555) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is ethyl 4-[2-(4-imidazol-1-ylphenoxy)ethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(4-imidazol-1-ylphenoxy)ethyl]piperazine-1-carboxylate
PubChem CID10154555
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Nameethyl 4-[2-(4-imidazol-1-ylphenoxy)ethyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CCOc2ccc(-n3ccnc3)cc2)CC1
InChIInChI=1S/C18H24N4O3/c1-2-24-18(23)21-11-9-20(10-12-21)13-14-25-17-5-3-16(4-6-17)22-8-7-19-15-22/h3-8,15H,2,9-14H2,1H3
InChIKeyGGPFRXPJXXCZQB-UHFFFAOYSA-N
XLogP2.03
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(4-imidazol-1-ylphenoxy)ethyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(4-imidazol-1-ylphenoxy)ethyl]piperazine-1-carboxylate (CID 10154555) is ethyl 4-[2-(4-imidazol-1-ylphenoxy)ethyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(4-imidazol-1-ylphenoxy)ethyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(4-imidazol-1-ylphenoxy)ethyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(CCOc2ccc(-n3ccnc3)cc2)CC1.
What is the InChIKey of ethyl 4-[2-(4-imidazol-1-ylphenoxy)ethyl]piperazine-1-carboxylate?
The InChIKey is GGPFRXPJXXCZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-2-24-18(23)21-11-9-20(10-12-21)13-14-25-17-5-3-16(4-6-17)22-8-7-19-15-22/h3-8,15H,2,9-14H2,1H3.
What are the key properties of ethyl 4-[2-(4-imidazol-1-ylphenoxy)ethyl]piperazine-1-carboxylate?
ethyl 4-[2-(4-imidazol-1-ylphenoxy)ethyl]piperazine-1-carboxylate has a molecular weight of 344.42 g/mol, XLogP of 2.03, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(4-imidazol-1-ylphenoxy)ethyl]piperazine-1-carboxylate is sourced from PubChem (CID 10154555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).