ethyl 4-(3-benzyl-2-oxo-1H-imidazole-4-carbonyl)piperazine-1-carboxylate

C18H22N4O4 — CID 84576657

IUPACethyl 4-(3-benzyl-2-oxo-1H-imidazole-4-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2c[nH]c(=O)n2Cc2ccccc2)CC1
InChIInChI=1S/C18H22N4O4/c1-2-26-18(25)21-10-8-20(9-11-21)16(23)15-12-19-17(24)22(15)13-14-6-4-3-5-7-14/h3-7,12H,2,8-11,13H2,1H3,(H,19,24)
InChIKeyXXGRURVAYAXZQD-UHFFFAOYSA-N
MW358.40 g/mol
LogP1.14
Rot. Bonds4

About ethyl 4-(3-benzyl-2-oxo-1H-imidazole-4-carbonyl)piperazine-1-carboxylate

ethyl 4-(3-benzyl-2-oxo-1H-imidazole-4-carbonyl)piperazine-1-carboxylate (PubChem CID 84576657) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is ethyl 4-(3-benzyl-2-oxo-1H-imidazole-4-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3-benzyl-2-oxo-1H-imidazole-4-carbonyl)piperazine-1-carboxylate
PubChem CID84576657
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC Nameethyl 4-(3-benzyl-2-oxo-1H-imidazole-4-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2c[nH]c(=O)n2Cc2ccccc2)CC1
InChIInChI=1S/C18H22N4O4/c1-2-26-18(25)21-10-8-20(9-11-21)16(23)15-12-19-17(24)22(15)13-14-6-4-3-5-7-14/h3-7,12H,2,8-11,13H2,1H3,(H,19,24)
InChIKeyXXGRURVAYAXZQD-UHFFFAOYSA-N
XLogP1.14
TPSA87.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-benzyl-4-(4-hydroxypiperidine-1-carbonyl)-1H-imidazol-2-one
CID 112531172
3-benzyl-4-(2-ethylpiperidine-1-carbonyl)-1H-imidazol-2-one
CID 84576543
ethyl 4-(1-benzyl-5-ethoxycarbonyl-2,4-dimethylpyrrole-3-carbonyl)piperazine-1-carboxylate
CID 43954465
ethyl 4-benzoylpiperazine-1-carboxylate
CID 3273572
ethyl 4-[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]acetyl]piperazine-1-carboxylate
CID 16597038
ethyl 4-[2-(1-benzyl-2,5-dioxoimidazolidin-4-yl)acetyl]piperazine-1-carboxylate
CID 91821962
4-(4-aminoindole-1-carbonyl)-3-benzyl-1H-imidazol-2-one
CID 112526275
ethyl 4-[(1-benzylindole-2-carbonyl)amino]piperidine-1-carboxylate
CID 46491360
ethyl 4-(2-methylbenzoyl)piperazine-1-carboxylate
CID 969363
ethyl 4-(1-benzofuran-2-carbonyl)piperazine-1-carboxylate
CID 6457707
ethyl 4-tritylpiperazine-1-carboxylate
CID 147686070
ethyl 4-(2-phenyl-1,3-oxazole-4-carbonyl)piperazine-1-carboxylate
CID 46896218

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-benzyl-2-oxo-1H-imidazole-4-carbonyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(3-benzyl-2-oxo-1H-imidazole-4-carbonyl)piperazine-1-carboxylate (CID 84576657) is ethyl 4-(3-benzyl-2-oxo-1H-imidazole-4-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(3-benzyl-2-oxo-1H-imidazole-4-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(3-benzyl-2-oxo-1H-imidazole-4-carbonyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2c[nH]c(=O)n2Cc2ccccc2)CC1.
What is the InChIKey of ethyl 4-(3-benzyl-2-oxo-1H-imidazole-4-carbonyl)piperazine-1-carboxylate?
The InChIKey is XXGRURVAYAXZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-2-26-18(25)21-10-8-20(9-11-21)16(23)15-12-19-17(24)22(15)13-14-6-4-3-5-7-14/h3-7,12H,2,8-11,13H2,1H3,(H,19,24).
What are the key properties of ethyl 4-(3-benzyl-2-oxo-1H-imidazole-4-carbonyl)piperazine-1-carboxylate?
ethyl 4-(3-benzyl-2-oxo-1H-imidazole-4-carbonyl)piperazine-1-carboxylate has a molecular weight of 358.40 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-benzyl-2-oxo-1H-imidazole-4-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 84576657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).