tert-butyl 4-[5-ethoxycarbonyl-4-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-oxopiperazine-1-carboxylate

C22H38N4O6Si — CID 171550480

IUPACtert-butyl 4-[5-ethoxycarbonyl-4-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-oxopiperazine-1-carboxylate
SMILESCCOC(=O)c1c(C)nc(N2CCN(C(=O)OC(C)(C)C)CC2=O)n1COCC[Si](C)(C)C
InChIInChI=1S/C22H38N4O6Si/c1-9-31-19(28)18-16(2)23-20(26(18)15-30-12-13-33(6,7)8)25-11-10-24(14-17(25)27)21(29)32-22(3,4)5/h9-15H2,1-8H3
InChIKeySEAPUHWZCAFSIH-UHFFFAOYSA-N
MW482.65 g/mol
LogP3.26
Rot. Bonds8

About tert-butyl 4-[5-ethoxycarbonyl-4-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-oxopiperazine-1-carboxylate

tert-butyl 4-[5-ethoxycarbonyl-4-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-oxopiperazine-1-carboxylate (PubChem CID 171550480) has the molecular formula C22H38N4O6Si and a molecular weight of 482.65 g/mol. Its IUPAC name is tert-butyl 4-[5-ethoxycarbonyl-4-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-oxopiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[5-ethoxycarbonyl-4-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-oxopiperazine-1-carboxylate
PubChem CID171550480
Molecular FormulaC22H38N4O6Si
Molecular Weight482.65 g/mol
Exact Mass482.26
IUPAC Nametert-butyl 4-[5-ethoxycarbonyl-4-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-oxopiperazine-1-carboxylate
SMILESCCOC(=O)c1c(C)nc(N2CCN(C(=O)OC(C)(C)C)CC2=O)n1COCC[Si](C)(C)C
InChIInChI=1S/C22H38N4O6Si/c1-9-31-19(28)18-16(2)23-20(26(18)15-30-12-13-33(6,7)8)25-11-10-24(14-17(25)27)21(29)32-22(3,4)5/h9-15H2,1-8H3
InChIKeySEAPUHWZCAFSIH-UHFFFAOYSA-N
XLogP3.26
TPSA103.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.65
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze tert-butyl 4-[5-ethoxycarbonyl-4-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-oxopiperazine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-[5-bromo-4-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]piperazine-1-carboxylate
CID 176911029
tert-butyl 4-(6-amino-4-methyl-3-pyridinyl)-3-oxopiperazine-1-carboxylate
CID 140876667
tert-butyl 3-oxo-4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperazine-1-carboxylate
CID 171482295
1-O-tert-butyl 4-O-ethyl 5-amino-3,6-dihydro-2H-pyridine-1,4-dicarboxylate
CID 54757010
1-O-tert-butyl 5-O-ethyl 3,6-dihydro-2H-pyridine-1,5-dicarboxylate
CID 11379830
7-O-tert-butyl 1-O-ethyl 2-[3-amino-2-[tert-butyl(dimethyl)silyl]oxypropyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylate
CID 155641085
2-trimethylsilylethyl 3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carboxylate
CID 162392840
3-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopiperazin-1-yl]-1,3-oxazol-4-yl]propanoic acid
CID 171550603
tert-butyl 4-[1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carbonyl]piperidine-1-carboxylate
CID 70104650
ethyl 2-methyl-1-(2-trimethylsilylethoxymethyl)thieno[2,3-d]imidazole-5-carboxylate
CID 22387741
tert-butyl 3-(3-hydroxycyclopentyl)-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate
CID 131748474
5-O-tert-butyl 2-O-ethyl 4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2,5-dicarboxylate
CID 118798371

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[5-ethoxycarbonyl-4-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-oxopiperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[5-ethoxycarbonyl-4-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-oxopiperazine-1-carboxylate (CID 171550480) is tert-butyl 4-[5-ethoxycarbonyl-4-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-oxopiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[5-ethoxycarbonyl-4-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-oxopiperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[5-ethoxycarbonyl-4-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-oxopiperazine-1-carboxylate is CCOC(=O)c1c(C)nc(N2CCN(C(=O)OC(C)(C)C)CC2=O)n1COCC[Si](C)(C)C.
What is the InChIKey of tert-butyl 4-[5-ethoxycarbonyl-4-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-oxopiperazine-1-carboxylate?
The InChIKey is SEAPUHWZCAFSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N4O6Si/c1-9-31-19(28)18-16(2)23-20(26(18)15-30-12-13-33(6,7)8)25-11-10-24(14-17(25)27)21(29)32-22(3,4)5/h9-15H2,1-8H3.
What are the key properties of tert-butyl 4-[5-ethoxycarbonyl-4-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-oxopiperazine-1-carboxylate?
tert-butyl 4-[5-ethoxycarbonyl-4-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-oxopiperazine-1-carboxylate has a molecular weight of 482.65 g/mol, XLogP of 3.26, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[5-ethoxycarbonyl-4-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-oxopiperazine-1-carboxylate is sourced from PubChem (CID 171550480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).