ethyl 4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperazine-1-carboxylate

C14H24N4O3 — CID 91768452

IUPACethyl 4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(Cc2nccn2CCOC)CC1
InChIInChI=1S/C14H24N4O3/c1-3-21-14(19)18-8-6-16(7-9-18)12-13-15-4-5-17(13)10-11-20-2/h4-5H,3,6-12H2,1-2H3
InChIKeyQYVHPWKAHWFGNL-UHFFFAOYSA-N
MW296.37 g/mol
LogP0.80
Rot. Bonds6

About ethyl 4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperazine-1-carboxylate

ethyl 4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperazine-1-carboxylate (PubChem CID 91768452) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is ethyl 4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperazine-1-carboxylate
PubChem CID91768452
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Nameethyl 4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(Cc2nccn2CCOC)CC1
InChIInChI=1S/C14H24N4O3/c1-3-21-14(19)18-8-6-16(7-9-18)12-13-15-4-5-17(13)10-11-20-2/h4-5H,3,6-12H2,1-2H3
InChIKeyQYVHPWKAHWFGNL-UHFFFAOYSA-N
XLogP0.80
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 1H-imidazole-1-carboxylate
CID 87963
4-(1H-imidazole-1-carbonyl)morpholine
CID 5230546
ethyl N-(4-imidazol-1-ylbut-2-ynyl)-N-methylcarbamate
CID 15065567
ethyl N-(5-imidazol-1-ylpent-3-yn-2-yl)-N-methylcarbamate
CID 15065569
3-(4-Imidazol-1-ylbut-2-ynyl)-1,3-oxazolidin-2-one
CID 15065571
(1,3-dimethylimidazol-1-ium-2-yl)methyl N-methylcarbamate iodide
CID 15945653
3-methyl-1-(morpholine-4-carbonyl)-1H-imidazol-3-ium iodide
CID 11220989
1-Ethyl-2,3-dimethylimidazolium methyl carbonate
CID 16218238
2-(1H-imidazol-1-yl)ethyl dimethylcarbamate
CID 852442
2-[3-Methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone
CID 53570699
3-ethyl-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]morpholine-4-carboxamide
CID 71868069
N-(2-imidazol-1-ylethyl)-3-methylmorpholine-4-carboxamide
CID 71894039

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperazine-1-carboxylate (CID 91768452) is ethyl 4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(Cc2nccn2CCOC)CC1.
What is the InChIKey of ethyl 4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperazine-1-carboxylate?
The InChIKey is QYVHPWKAHWFGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-3-21-14(19)18-8-6-16(7-9-18)12-13-15-4-5-17(13)10-11-20-2/h4-5H,3,6-12H2,1-2H3.
What are the key properties of ethyl 4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperazine-1-carboxylate?
ethyl 4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperazine-1-carboxylate has a molecular weight of 296.37 g/mol, XLogP of 0.80, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperazine-1-carboxylate is sourced from PubChem (CID 91768452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).