tert-butyl (2R,3R)-3-[[2-[2,6-dioxo-1-(2-trimethylsilylethoxymethyl)piperidin-3-yl]-1-oxo-3H-isoindol-5-yl]oxy]-2-methylpiperidine-1-carboxylate

C30H45N3O7Si — CID 166154183

IUPACtert-butyl (2R,3R)-3-[[2-[2,6-dioxo-1-(2-trimethylsilylethoxymethyl)piperidin-3-yl]-1-oxo-3H-isoindol-5-yl]oxy]-2-methylpiperidine-1-carboxylate
SMILESC[C@@H]1[C@H](Oc2ccc3c(c2)CN(C2CCC(=O)N(COCC[Si](C)(C)C)C2=O)C3=O)CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C30H45N3O7Si/c1-20-25(9-8-14-31(20)29(37)40-30(2,3)4)39-22-10-11-23-21(17-22)18-32(27(23)35)24-12-13-26(34)33(28(24)36)19-38-15-16-41(5,6)7/h10-11,17,20,24-25H,8-9,12-16,18-19H2,1-7H3/t20-,24?,25-/m1/s1
InChIKeyWYSBQYDEGQDTAR-CLIADVIRSA-N
MW587.79 g/mol
LogP4.64
Rot. Bonds8

About tert-butyl (2R,3R)-3-[[2-[2,6-dioxo-1-(2-trimethylsilylethoxymethyl)piperidin-3-yl]-1-oxo-3H-isoindol-5-yl]oxy]-2-methylpiperidine-1-carboxylate

tert-butyl (2R,3R)-3-[[2-[2,6-dioxo-1-(2-trimethylsilylethoxymethyl)piperidin-3-yl]-1-oxo-3H-isoindol-5-yl]oxy]-2-methylpiperidine-1-carboxylate (PubChem CID 166154183) has the molecular formula C30H45N3O7Si and a molecular weight of 587.79 g/mol. Its IUPAC name is tert-butyl (2R,3R)-3-[[2-[2,6-dioxo-1-(2-trimethylsilylethoxymethyl)piperidin-3-yl]-1-oxo-3H-isoindol-5-yl]oxy]-2-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,3R)-3-[[2-[2,6-dioxo-1-(2-trimethylsilylethoxymethyl)piperidin-3-yl]-1-oxo-3H-isoindol-5-yl]oxy]-2-methylpiperidine-1-carboxylate
PubChem CID166154183
Molecular FormulaC30H45N3O7Si
Molecular Weight587.79 g/mol
Exact Mass587.30
IUPAC Nametert-butyl (2R,3R)-3-[[2-[2,6-dioxo-1-(2-trimethylsilylethoxymethyl)piperidin-3-yl]-1-oxo-3H-isoindol-5-yl]oxy]-2-methylpiperidine-1-carboxylate
SMILESC[C@@H]1[C@H](Oc2ccc3c(c2)CN(C2CCC(=O)N(COCC[Si](C)(C)C)C2=O)C3=O)CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C30H45N3O7Si/c1-20-25(9-8-14-31(20)29(37)40-30(2,3)4)39-22-10-11-23-21(17-22)18-32(27(23)35)24-12-13-26(34)33(28(24)36)19-38-15-16-41(5,6)7/h10-11,17,20,24-25H,8-9,12-16,18-19H2,1-7H3/t20-,24?,25-/m1/s1
InChIKeyWYSBQYDEGQDTAR-CLIADVIRSA-N
XLogP4.64
TPSA105.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500587.79
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze tert-butyl (2R,3R)-3-[[2-[2,6-dioxo-1-(2-trimethylsilylethoxymethyl)piperidin-3-yl]-1-oxo-3H-isoindol-5-yl]oxy]-2-methylpiperidine-1-carboxylate 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

tert-butyl (3R,4R)-3-[[2-[(3R)-2,6-dioxo-1-(2-trimethylsilylethoxymethyl)piperidin-3-yl]-1-oxo-3H-isoindol-5-yl]oxy]-4-methylpiperidine-1-carboxylate
CID 175844431
tert-butyl (3aR,6S,6aS)-6-[[2-[2,6-dioxo-1-(2-trimethylsilylethoxymethyl)piperidin-3-yl]-1-oxo-3H-isoindol-5-yl]oxy]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate
CID 153312965
tert-butyl (3R)-3-[[2-[2,6-dioxo-1-(2-trimethylsilylethoxymethyl)piperidin-3-yl]-1-oxo-3H-isoindol-5-yl]oxy]piperidine-1-carboxylate
CID 166154254
tert-butyl 6-[[2-[2,6-dioxo-1-(2-trimethylsilylethoxymethyl)piperidin-3-yl]-1-oxo-3H-isoindol-5-yl]oxy]-2-azabicyclo[2.2.1]heptane-2-carboxylate
CID 166154091
tert-butyl N-[(1S,2S)-2-[[2-[2,6-dioxo-1-(2-trimethylsilylethoxymethyl)piperidin-3-yl]-1-oxo-3H-isoindol-5-yl]oxy]cycloheptyl]carbamate
CID 153313010
tert-butyl (3R)-3-[[2-[2,6-dioxo-1-(2-trimethylsilylethoxymethyl)piperidin-3-yl]-1-oxo-3H-isoindol-5-yl]oxy]azepane-1-carboxylate
CID 166154226
3-[6-[(3R,4S)-4-methyloxolan-3-yl]oxy-3-oxo-1H-isoindol-2-yl]-1-(2-trimethylsilylethoxymethyl)piperidine-2,6-dione
CID 153312981
tert-butyl N-[(1S,2R)-2-[[2-[2,6-dioxo-1-(2-trimethylsilylethoxymethyl)piperidin-3-yl]-6-fluoro-1-oxo-3H-isoindol-5-yl]methyl]cyclohexyl]carbamate
CID 169068120
[2-[2,6-dioxo-1-(2-trimethylsilylethoxymethyl)piperidin-3-yl]-1-oxo-3H-isoindol-5-yl]methyl-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]carbamic acid
CID 174050252
1-(hydroxymethyl)-3-[6-[(3R,5R)-5-methylpiperidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166154122
benzyl 4-[[1-[2-[2,6-dioxo-1-(2-trimethylsilylethoxymethyl)piperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperidin-4-yl]methoxy]piperidine-1-carboxylate
CID 178161357
3-[6-[[(1-benzylpiperidin-4-yl)amino]methyl]-3-oxo-1H-isoindol-2-yl]-1-(2-trimethylsilylethoxymethyl)piperidine-2,6-dione
CID 168960538

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,3R)-3-[[2-[2,6-dioxo-1-(2-trimethylsilylethoxymethyl)piperidin-3-yl]-1-oxo-3H-isoindol-5-yl]oxy]-2-methylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,3R)-3-[[2-[2,6-dioxo-1-(2-trimethylsilylethoxymethyl)piperidin-3-yl]-1-oxo-3H-isoindol-5-yl]oxy]-2-methylpiperidine-1-carboxylate (CID 166154183) is tert-butyl (2R,3R)-3-[[2-[2,6-dioxo-1-(2-trimethylsilylethoxymethyl)piperidin-3-yl]-1-oxo-3H-isoindol-5-yl]oxy]-2-methylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,3R)-3-[[2-[2,6-dioxo-1-(2-trimethylsilylethoxymethyl)piperidin-3-yl]-1-oxo-3H-isoindol-5-yl]oxy]-2-methylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,3R)-3-[[2-[2,6-dioxo-1-(2-trimethylsilylethoxymethyl)piperidin-3-yl]-1-oxo-3H-isoindol-5-yl]oxy]-2-methylpiperidine-1-carboxylate is C[C@@H]1[C@H](Oc2ccc3c(c2)CN(C2CCC(=O)N(COCC[Si](C)(C)C)C2=O)C3=O)CCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R,3R)-3-[[2-[2,6-dioxo-1-(2-trimethylsilylethoxymethyl)piperidin-3-yl]-1-oxo-3H-isoindol-5-yl]oxy]-2-methylpiperidine-1-carboxylate?
The InChIKey is WYSBQYDEGQDTAR-CLIADVIRSA-N. The full InChI is InChI=1S/C30H45N3O7Si/c1-20-25(9-8-14-31(20)29(37)40-30(2,3)4)39-22-10-11-23-21(17-22)18-32(27(23)35)24-12-13-26(34)33(28(24)36)19-38-15-16-41(5,6)7/h10-11,17,20,24-25H,8-9,12-16,18-19H2,1-7H3/t20-,24?,25-/m1/s1.
What are the key properties of tert-butyl (2R,3R)-3-[[2-[2,6-dioxo-1-(2-trimethylsilylethoxymethyl)piperidin-3-yl]-1-oxo-3H-isoindol-5-yl]oxy]-2-methylpiperidine-1-carboxylate?
tert-butyl (2R,3R)-3-[[2-[2,6-dioxo-1-(2-trimethylsilylethoxymethyl)piperidin-3-yl]-1-oxo-3H-isoindol-5-yl]oxy]-2-methylpiperidine-1-carboxylate has a molecular weight of 587.79 g/mol, XLogP of 4.64, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,3R)-3-[[2-[2,6-dioxo-1-(2-trimethylsilylethoxymethyl)piperidin-3-yl]-1-oxo-3H-isoindol-5-yl]oxy]-2-methylpiperidine-1-carboxylate is sourced from PubChem (CID 166154183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).