benzyl (2R,3S)-3-[2,2-dimethylpropyl(dimethyl)silyl]oxy-2-[3-[2-[[2,2-dimethylpropyl(dimethyl)silyl]oxymethyl]benzimidazol-1-yl]-2-oxopropyl]piperidine-1-carboxylate

C38H59N3O5Si2 — CID 141470004

IUPACbenzyl (2R,3S)-3-[2,2-dimethylpropyl(dimethyl)silyl]oxy-2-[3-[2-[[2,2-dimethylpropyl(dimethyl)silyl]oxymethyl]benzimidazol-1-yl]-2-oxopropyl]piperidine-1-carboxylate
SMILESCC(C)(C)C[Si](C)(C)OCc1nc2ccccc2n1CC(=O)C[C@@H]1[C@@H](O[Si](C)(C)CC(C)(C)C)CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C38H59N3O5Si2/c1-37(2,3)27-47(7,8)45-26-35-39-31-19-14-15-20-32(31)41(35)24-30(42)23-33-34(46-48(9,10)28-38(4,5)6)21-16-22-40(33)36(43)44-25-29-17-12-11-13-18-29/h11-15,17-20,33-34H,16,21-28H2,1-10H3/t33-,34+/m1/s1
InChIKeyIGTVKIQIRJOQGA-NOCHOARKSA-N
MW694.08 g/mol
LogP9.20
Rot. Bonds13

About benzyl (2R,3S)-3-[2,2-dimethylpropyl(dimethyl)silyl]oxy-2-[3-[2-[[2,2-dimethylpropyl(dimethyl)silyl]oxymethyl]benzimidazol-1-yl]-2-oxopropyl]piperidine-1-carboxylate

benzyl (2R,3S)-3-[2,2-dimethylpropyl(dimethyl)silyl]oxy-2-[3-[2-[[2,2-dimethylpropyl(dimethyl)silyl]oxymethyl]benzimidazol-1-yl]-2-oxopropyl]piperidine-1-carboxylate (PubChem CID 141470004) has the molecular formula C38H59N3O5Si2 and a molecular weight of 694.08 g/mol. Its IUPAC name is benzyl (2R,3S)-3-[2,2-dimethylpropyl(dimethyl)silyl]oxy-2-[3-[2-[[2,2-dimethylpropyl(dimethyl)silyl]oxymethyl]benzimidazol-1-yl]-2-oxopropyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2R,3S)-3-[2,2-dimethylpropyl(dimethyl)silyl]oxy-2-[3-[2-[[2,2-dimethylpropyl(dimethyl)silyl]oxymethyl]benzimidazol-1-yl]-2-oxopropyl]piperidine-1-carboxylate
PubChem CID141470004
Molecular FormulaC38H59N3O5Si2
Molecular Weight694.08 g/mol
Exact Mass693.40
IUPAC Namebenzyl (2R,3S)-3-[2,2-dimethylpropyl(dimethyl)silyl]oxy-2-[3-[2-[[2,2-dimethylpropyl(dimethyl)silyl]oxymethyl]benzimidazol-1-yl]-2-oxopropyl]piperidine-1-carboxylate
SMILESCC(C)(C)C[Si](C)(C)OCc1nc2ccccc2n1CC(=O)C[C@@H]1[C@@H](O[Si](C)(C)CC(C)(C)C)CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C38H59N3O5Si2/c1-37(2,3)27-47(7,8)45-26-35-39-31-19-14-15-20-32(31)41(35)24-30(42)23-33-34(46-48(9,10)28-38(4,5)6)21-16-22-40(33)36(43)44-25-29-17-12-11-13-18-29/h11-15,17-20,33-34H,16,21-28H2,1-10H3/t33-,34+/m1/s1
InChIKeyIGTVKIQIRJOQGA-NOCHOARKSA-N
XLogP9.20
TPSA82.89 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.08
LogP ≤ 59.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze benzyl (2R,3S)-3-[2,2-dimethylpropyl(dimethyl)silyl]oxy-2-[3-[2-[[2,2-dimethylpropyl(dimethyl)silyl]oxymethyl]benzimidazol-1-yl]-2-oxopropyl]piperidine-1-carboxylate with MolForge

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Related Compounds

benzyl (2R,3S)-2-[3-(benzimidazol-1-yl)-2-hydroxy-2-methylpropyl]-3-[2,2-dimethylpropyl(dimethyl)silyl]oxypiperidine-1-carboxylate
CID 141470014
benzyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)piperidine-1-carboxylate
CID 11036265
benzyl (2R)-2-[[2-(chloromethyl)benzimidazol-1-yl]methyl]pyrrolidine-1-carboxylate
CID 97166653
benzyl (2R)-2-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]pyrrolidine-1-carboxylate
CID 97168524
benzyl (2R,3S)-2-[3-(4-bromo-2-nitroanilino)-2-hydroxypropyl]-3-[2,2-dimethylpropyl(dimethyl)silyl]oxypiperidine-1-carboxylate
CID 141469979
benzyl 2-(oxiran-2-yl)pyrrolidine-1-carboxylate
CID 21051103
benzyl (2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 10719847
benzyl (2S)-2-ethynylpyrrolidine-1-carboxylate
CID 101484973
benzyl (2R)-2-[[(2R)-oxiran-2-yl]methyl]piperidine-1-carboxylate
CID 10956739
benzyl (2S)-2-(5-tert-butyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate
CID 129126731
benzyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(4-methoxyphenyl)piperidine-1-carboxylate
CID 101131554
5-methyl-2-(1-phenylmethoxycarbonylpyrrolidin-2-yl)-1,3-oxazole-4-carboxylic acid
CID 85274193

Frequently Asked Questions

What is the IUPAC name of benzyl (2R,3S)-3-[2,2-dimethylpropyl(dimethyl)silyl]oxy-2-[3-[2-[[2,2-dimethylpropyl(dimethyl)silyl]oxymethyl]benzimidazol-1-yl]-2-oxopropyl]piperidine-1-carboxylate?
The IUPAC name of benzyl (2R,3S)-3-[2,2-dimethylpropyl(dimethyl)silyl]oxy-2-[3-[2-[[2,2-dimethylpropyl(dimethyl)silyl]oxymethyl]benzimidazol-1-yl]-2-oxopropyl]piperidine-1-carboxylate (CID 141470004) is benzyl (2R,3S)-3-[2,2-dimethylpropyl(dimethyl)silyl]oxy-2-[3-[2-[[2,2-dimethylpropyl(dimethyl)silyl]oxymethyl]benzimidazol-1-yl]-2-oxopropyl]piperidine-1-carboxylate.
What is the SMILES notation for benzyl (2R,3S)-3-[2,2-dimethylpropyl(dimethyl)silyl]oxy-2-[3-[2-[[2,2-dimethylpropyl(dimethyl)silyl]oxymethyl]benzimidazol-1-yl]-2-oxopropyl]piperidine-1-carboxylate?
The canonical SMILES for benzyl (2R,3S)-3-[2,2-dimethylpropyl(dimethyl)silyl]oxy-2-[3-[2-[[2,2-dimethylpropyl(dimethyl)silyl]oxymethyl]benzimidazol-1-yl]-2-oxopropyl]piperidine-1-carboxylate is CC(C)(C)C[Si](C)(C)OCc1nc2ccccc2n1CC(=O)C[C@@H]1[C@@H](O[Si](C)(C)CC(C)(C)C)CCCN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2R,3S)-3-[2,2-dimethylpropyl(dimethyl)silyl]oxy-2-[3-[2-[[2,2-dimethylpropyl(dimethyl)silyl]oxymethyl]benzimidazol-1-yl]-2-oxopropyl]piperidine-1-carboxylate?
The InChIKey is IGTVKIQIRJOQGA-NOCHOARKSA-N. The full InChI is InChI=1S/C38H59N3O5Si2/c1-37(2,3)27-47(7,8)45-26-35-39-31-19-14-15-20-32(31)41(35)24-30(42)23-33-34(46-48(9,10)28-38(4,5)6)21-16-22-40(33)36(43)44-25-29-17-12-11-13-18-29/h11-15,17-20,33-34H,16,21-28H2,1-10H3/t33-,34+/m1/s1.
What are the key properties of benzyl (2R,3S)-3-[2,2-dimethylpropyl(dimethyl)silyl]oxy-2-[3-[2-[[2,2-dimethylpropyl(dimethyl)silyl]oxymethyl]benzimidazol-1-yl]-2-oxopropyl]piperidine-1-carboxylate?
benzyl (2R,3S)-3-[2,2-dimethylpropyl(dimethyl)silyl]oxy-2-[3-[2-[[2,2-dimethylpropyl(dimethyl)silyl]oxymethyl]benzimidazol-1-yl]-2-oxopropyl]piperidine-1-carboxylate has a molecular weight of 694.08 g/mol, XLogP of 9.20, 13 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R,3S)-3-[2,2-dimethylpropyl(dimethyl)silyl]oxy-2-[3-[2-[[2,2-dimethylpropyl(dimethyl)silyl]oxymethyl]benzimidazol-1-yl]-2-oxopropyl]piperidine-1-carboxylate is sourced from PubChem (CID 141470004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).