ethyl 4-(1H-imidazole-2-carbonyl)piperazine-1-carboxylate

C11H16N4O3 — CID 110466563

IUPACethyl 4-(1H-imidazole-2-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2ncc[nH]2)CC1
InChIInChI=1S/C11H16N4O3/c1-2-18-11(17)15-7-5-14(6-8-15)10(16)9-12-3-4-13-9/h3-4H,2,5-8H2,1H3,(H,12,13)
InChIKeyHHDDTVHVTZSRMT-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.32
Rot. Bonds2

About ethyl 4-(1H-imidazole-2-carbonyl)piperazine-1-carboxylate

ethyl 4-(1H-imidazole-2-carbonyl)piperazine-1-carboxylate (PubChem CID 110466563) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is ethyl 4-(1H-imidazole-2-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(1H-imidazole-2-carbonyl)piperazine-1-carboxylate
PubChem CID110466563
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Nameethyl 4-(1H-imidazole-2-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2ncc[nH]2)CC1
InChIInChI=1S/C11H16N4O3/c1-2-18-11(17)15-7-5-14(6-8-15)10(16)9-12-3-4-13-9/h3-4H,2,5-8H2,1H3,(H,12,13)
InChIKeyHHDDTVHVTZSRMT-UHFFFAOYSA-N
XLogP0.32
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 969363
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CID 110798379
(4-ethylpiperazin-1-yl)methyl 2-(1H-imidazol-2-yl)-2-oxoacetate
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ethyl azetidine-1-carboxylate
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ethyl 4-(4-methylbenzoyl)piperazine-1-carboxylate
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ethyl 4-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperazine-1-carboxylate
CID 84574983
1-[4-[[4-hydroxy-1-(1H-imidazole-2-carbonyl)azepan-4-yl]methyl]piperazin-1-yl]ethanone
CID 110123347
ethyl 4-[2-[2-(dimethylamino)ethylamino]pyridine-4-carbonyl]piperazine-1-carboxylate
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ethyl 4-(quinoline-4-carbonyl)piperazine-1-carboxylate
CID 110694883
ethyl 4-(6-oxo-1H-pyridazine-3-carbonyl)-1,4-diazepane-1-carboxylate
CID 110808932

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(1H-imidazole-2-carbonyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(1H-imidazole-2-carbonyl)piperazine-1-carboxylate (CID 110466563) is ethyl 4-(1H-imidazole-2-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(1H-imidazole-2-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(1H-imidazole-2-carbonyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2ncc[nH]2)CC1.
What is the InChIKey of ethyl 4-(1H-imidazole-2-carbonyl)piperazine-1-carboxylate?
The InChIKey is HHDDTVHVTZSRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-2-18-11(17)15-7-5-14(6-8-15)10(16)9-12-3-4-13-9/h3-4H,2,5-8H2,1H3,(H,12,13).
What are the key properties of ethyl 4-(1H-imidazole-2-carbonyl)piperazine-1-carboxylate?
ethyl 4-(1H-imidazole-2-carbonyl)piperazine-1-carboxylate has a molecular weight of 252.27 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(1H-imidazole-2-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 110466563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).