dimethyl (2R,3S,6S)-3-acetyloxy-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]piperidine-1,2-dicarboxylate

C29H39NO7Si — CID 10768838

IUPACdimethyl (2R,3S,6S)-3-acetyloxy-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]piperidine-1,2-dicarboxylate
SMILESCOC(=O)[C@H]1[C@@H](OC(C)=O)CC[C@@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N1C(=O)OC
InChIInChI=1S/C29H39NO7Si/c1-21(31)37-25-18-17-22(30(28(33)35-6)26(25)27(32)34-5)19-20-36-38(29(2,3)4,23-13-9-7-10-14-23)24-15-11-8-12-16-24/h7-16,22,25-26H,17-20H2,1-6H3/t22-,25-,26+/m0/s1
InChIKeyILIBGJDTXYGCSC-UCGXPXSYSA-N
MW541.72 g/mol
LogP3.66
Rot. Bonds8

About dimethyl (2R,3S,6S)-3-acetyloxy-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]piperidine-1,2-dicarboxylate

dimethyl (2R,3S,6S)-3-acetyloxy-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]piperidine-1,2-dicarboxylate (PubChem CID 10768838) has the molecular formula C29H39NO7Si and a molecular weight of 541.72 g/mol. Its IUPAC name is dimethyl (2R,3S,6S)-3-acetyloxy-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]piperidine-1,2-dicarboxylate.

Molecular Properties

Compound Namedimethyl (2R,3S,6S)-3-acetyloxy-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]piperidine-1,2-dicarboxylate
PubChem CID10768838
Molecular FormulaC29H39NO7Si
Molecular Weight541.72 g/mol
Exact Mass541.25
IUPAC Namedimethyl (2R,3S,6S)-3-acetyloxy-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]piperidine-1,2-dicarboxylate
SMILESCOC(=O)[C@H]1[C@@H](OC(C)=O)CC[C@@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N1C(=O)OC
InChIInChI=1S/C29H39NO7Si/c1-21(31)37-25-18-17-22(30(28(33)35-6)26(25)27(32)34-5)19-20-36-38(29(2,3)4,23-13-9-7-10-14-23)24-15-11-8-12-16-24/h7-16,22,25-26H,17-20H2,1-6H3/t22-,25-,26+/m0/s1
InChIKeyILIBGJDTXYGCSC-UCGXPXSYSA-N
XLogP3.66
TPSA91.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.72
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze dimethyl (2R,3S,6S)-3-acetyloxy-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]piperidine-1,2-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dimethyl (2R,3S,5R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethenyl-5-propylpiperidine-1,2-dicarboxylate
CID 11591931
[(2S,6R)-1-[4-[tert-butyl(diphenyl)silyl]oxybutanoyl]-6-[(1R)-1-(2-methoxyethoxymethoxy)propyl]piperidin-2-yl]methyl acetate
CID 135025527
[(3R)-1-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-[methyl(tetradecyl)amino]propoxy]decan-3-yl] dodecanoate
CID 57757077
Methyl 2-[5-amino-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]acetate
CID 140682212
2-[[Tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-ethoxy-3-oxopropanoyl)piperidine-1-carboxylic acid
CID 155658317
1-O-tert-butyl 2-O-methyl (2S,3R)-3-[tert-butyl(diphenyl)silyl]oxypiperidine-1,2-dicarboxylate
CID 170726767
tert-butyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxopiperidine-1-carboxylate
CID 170726910
1-O-tert-butyl 2-O-methyl 4-[tert-butyl(diphenyl)silyl]oxy-2-methylpiperidine-1,2-dicarboxylate
CID 170938992
1-O-tert-butyl 2-O-methyl 4-[tert-butyl(diphenyl)silyl]oxypiperidine-1,2-dicarboxylate
CID 170939019
[6-[2-[Tert-butyl(diphenyl)silyl]oxyethyl-methylamino]-11-[2-[3-hexylundecanoyl(methyl)amino]acetyl]oxyundecyl] 3-hexylundecanoate
CID 171487452
[11-[2-[4-Butyldecanoyl(methyl)amino]acetyl]oxy-6-[4-[tert-butyl(diphenyl)silyl]oxybutyl-methylamino]undecyl] 4-pentylundecanoate
CID 171487453
[6-[4-[Tert-butyl(diphenyl)silyl]oxybutyl-methylamino]-11-[2-[3-hexylundecanoyl(methyl)amino]acetyl]oxyundecyl] decanoate
CID 171487460

Frequently Asked Questions

What is the IUPAC name of dimethyl (2R,3S,6S)-3-acetyloxy-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]piperidine-1,2-dicarboxylate?
The IUPAC name of dimethyl (2R,3S,6S)-3-acetyloxy-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]piperidine-1,2-dicarboxylate (CID 10768838) is dimethyl (2R,3S,6S)-3-acetyloxy-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]piperidine-1,2-dicarboxylate.
What is the SMILES notation for dimethyl (2R,3S,6S)-3-acetyloxy-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]piperidine-1,2-dicarboxylate?
The canonical SMILES for dimethyl (2R,3S,6S)-3-acetyloxy-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]piperidine-1,2-dicarboxylate is COC(=O)[C@H]1[C@@H](OC(C)=O)CC[C@@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N1C(=O)OC.
What is the InChIKey of dimethyl (2R,3S,6S)-3-acetyloxy-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]piperidine-1,2-dicarboxylate?
The InChIKey is ILIBGJDTXYGCSC-UCGXPXSYSA-N. The full InChI is InChI=1S/C29H39NO7Si/c1-21(31)37-25-18-17-22(30(28(33)35-6)26(25)27(32)34-5)19-20-36-38(29(2,3)4,23-13-9-7-10-14-23)24-15-11-8-12-16-24/h7-16,22,25-26H,17-20H2,1-6H3/t22-,25-,26+/m0/s1.
What are the key properties of dimethyl (2R,3S,6S)-3-acetyloxy-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]piperidine-1,2-dicarboxylate?
dimethyl (2R,3S,6S)-3-acetyloxy-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]piperidine-1,2-dicarboxylate has a molecular weight of 541.72 g/mol, XLogP of 3.66, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2R,3S,6S)-3-acetyloxy-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]piperidine-1,2-dicarboxylate is sourced from PubChem (CID 10768838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).