3-[3-oxo-6-[[(1R,2S)-2-(1-phenylethylamino)cyclohexyl]methyl]-1H-isoindol-2-yl]-1-(2-trimethylsilylethoxymethyl)piperidine-2,6-dione

C34H47N3O4Si — CID 174057932

IUPAC3-[3-oxo-6-[[(1R,2S)-2-(1-phenylethylamino)cyclohexyl]methyl]-1H-isoindol-2-yl]-1-(2-trimethylsilylethoxymethyl)piperidine-2,6-dione
SMILESCC(N[C@H]1CCCC[C@@H]1Cc1ccc2c(c1)CN(C1CCC(=O)N(COCC[Si](C)(C)C)C1=O)C2=O)c1ccccc1
InChIInChI=1S/C34H47N3O4Si/c1-24(26-10-6-5-7-11-26)35-30-13-9-8-12-27(30)20-25-14-15-29-28(21-25)22-36(33(29)39)31-16-17-32(38)37(34(31)40)23-41-18-19-42(2,3)4/h5-7,10-11,14-15,21,24,27,30-31,35H,8-9,12-13,16-20,22-23H2,1-4H3/t24?,27-,30+,31?/m1/s1
InChIKeyZRHGTSAQRCFUPS-XSBPDBKBSA-N
MW589.85 g/mol
LogP5.92
Rot. Bonds11

About 3-[3-oxo-6-[[(1R,2S)-2-(1-phenylethylamino)cyclohexyl]methyl]-1H-isoindol-2-yl]-1-(2-trimethylsilylethoxymethyl)piperidine-2,6-dione

3-[3-oxo-6-[[(1R,2S)-2-(1-phenylethylamino)cyclohexyl]methyl]-1H-isoindol-2-yl]-1-(2-trimethylsilylethoxymethyl)piperidine-2,6-dione (PubChem CID 174057932) has the molecular formula C34H47N3O4Si and a molecular weight of 589.85 g/mol. Its IUPAC name is 3-[3-oxo-6-[[(1R,2S)-2-(1-phenylethylamino)cyclohexyl]methyl]-1H-isoindol-2-yl]-1-(2-trimethylsilylethoxymethyl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-[3-oxo-6-[[(1R,2S)-2-(1-phenylethylamino)cyclohexyl]methyl]-1H-isoindol-2-yl]-1-(2-trimethylsilylethoxymethyl)piperidine-2,6-dione
PubChem CID174057932
Molecular FormulaC34H47N3O4Si
Molecular Weight589.85 g/mol
Exact Mass589.33
IUPAC Name3-[3-oxo-6-[[(1R,2S)-2-(1-phenylethylamino)cyclohexyl]methyl]-1H-isoindol-2-yl]-1-(2-trimethylsilylethoxymethyl)piperidine-2,6-dione
SMILESCC(N[C@H]1CCCC[C@@H]1Cc1ccc2c(c1)CN(C1CCC(=O)N(COCC[Si](C)(C)C)C1=O)C2=O)c1ccccc1
InChIInChI=1S/C34H47N3O4Si/c1-24(26-10-6-5-7-11-26)35-30-13-9-8-12-27(30)20-25-14-15-29-28(21-25)22-36(33(29)39)31-16-17-32(38)37(34(31)40)23-41-18-19-42(2,3)4/h5-7,10-11,14-15,21,24,27,30-31,35H,8-9,12-13,16-20,22-23H2,1-4H3/t24?,27-,30+,31?/m1/s1
InChIKeyZRHGTSAQRCFUPS-XSBPDBKBSA-N
XLogP5.92
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.85
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 3-[3-oxo-6-[[(1R,2S)-2-(1-phenylethylamino)cyclohexyl]methyl]-1H-isoindol-2-yl]-1-(2-trimethylsilylethoxymethyl)piperidine-2,6-dione 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

[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
3-[6-[[(1-benzylpiperidin-4-yl)amino]methyl]-3-oxo-1H-isoindol-2-yl]-1-(2-trimethylsilylethoxymethyl)piperidine-2,6-dione
CID 168960538
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 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
3-[6-[(3R,4S)-4-methyloxolan-3-yl]oxy-3-oxo-1H-isoindol-2-yl]-1-(2-trimethylsilylethoxymethyl)piperidine-2,6-dione
CID 153312981
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
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-[[(1R,2S)-2-(butan-2-ylamino)cyclohexyl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 169067718
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
3-[6-[[(1R,2S)-2-(4,4-dimethylpentan-2-ylamino)cyclohexyl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 169068145
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
3-[6-[[(1R,2S)-2-[[(1S)-1-cyclopropylpropyl]amino]cyclohexyl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 169191039

Frequently Asked Questions

What is the IUPAC name of 3-[3-oxo-6-[[(1R,2S)-2-(1-phenylethylamino)cyclohexyl]methyl]-1H-isoindol-2-yl]-1-(2-trimethylsilylethoxymethyl)piperidine-2,6-dione?
The IUPAC name of 3-[3-oxo-6-[[(1R,2S)-2-(1-phenylethylamino)cyclohexyl]methyl]-1H-isoindol-2-yl]-1-(2-trimethylsilylethoxymethyl)piperidine-2,6-dione (CID 174057932) is 3-[3-oxo-6-[[(1R,2S)-2-(1-phenylethylamino)cyclohexyl]methyl]-1H-isoindol-2-yl]-1-(2-trimethylsilylethoxymethyl)piperidine-2,6-dione.
What is the SMILES notation for 3-[3-oxo-6-[[(1R,2S)-2-(1-phenylethylamino)cyclohexyl]methyl]-1H-isoindol-2-yl]-1-(2-trimethylsilylethoxymethyl)piperidine-2,6-dione?
The canonical SMILES for 3-[3-oxo-6-[[(1R,2S)-2-(1-phenylethylamino)cyclohexyl]methyl]-1H-isoindol-2-yl]-1-(2-trimethylsilylethoxymethyl)piperidine-2,6-dione is CC(N[C@H]1CCCC[C@@H]1Cc1ccc2c(c1)CN(C1CCC(=O)N(COCC[Si](C)(C)C)C1=O)C2=O)c1ccccc1.
What is the InChIKey of 3-[3-oxo-6-[[(1R,2S)-2-(1-phenylethylamino)cyclohexyl]methyl]-1H-isoindol-2-yl]-1-(2-trimethylsilylethoxymethyl)piperidine-2,6-dione?
The InChIKey is ZRHGTSAQRCFUPS-XSBPDBKBSA-N. The full InChI is InChI=1S/C34H47N3O4Si/c1-24(26-10-6-5-7-11-26)35-30-13-9-8-12-27(30)20-25-14-15-29-28(21-25)22-36(33(29)39)31-16-17-32(38)37(34(31)40)23-41-18-19-42(2,3)4/h5-7,10-11,14-15,21,24,27,30-31,35H,8-9,12-13,16-20,22-23H2,1-4H3/t24?,27-,30+,31?/m1/s1.
What are the key properties of 3-[3-oxo-6-[[(1R,2S)-2-(1-phenylethylamino)cyclohexyl]methyl]-1H-isoindol-2-yl]-1-(2-trimethylsilylethoxymethyl)piperidine-2,6-dione?
3-[3-oxo-6-[[(1R,2S)-2-(1-phenylethylamino)cyclohexyl]methyl]-1H-isoindol-2-yl]-1-(2-trimethylsilylethoxymethyl)piperidine-2,6-dione has a molecular weight of 589.85 g/mol, XLogP of 5.92, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-oxo-6-[[(1R,2S)-2-(1-phenylethylamino)cyclohexyl]methyl]-1H-isoindol-2-yl]-1-(2-trimethylsilylethoxymethyl)piperidine-2,6-dione is sourced from PubChem (CID 174057932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).