3-[3-oxo-6-[4-(3-trimethylsilylprop-2-ynyl)piperazin-1-yl]-1H-isoindol-2-yl]piperidine-2,6-dione

C23H30N4O3Si — CID 165175926

IUPAC3-[3-oxo-6-[4-(3-trimethylsilylprop-2-ynyl)piperazin-1-yl]-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESC[Si](C)(C)C#CCN1CCN(c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)CC1
InChIInChI=1S/C23H30N4O3Si/c1-31(2,3)14-4-9-25-10-12-26(13-11-25)18-5-6-19-17(15-18)16-27(23(19)30)20-7-8-21(28)24-22(20)29/h5-6,15,20H,7-13,16H2,1-3H3,(H,24,28,29)
InChIKeyHDTRBGKHGXYDJI-UHFFFAOYSA-N
MW438.60 g/mol
LogP1.45
Rot. Bonds3

About 3-[3-oxo-6-[4-(3-trimethylsilylprop-2-ynyl)piperazin-1-yl]-1H-isoindol-2-yl]piperidine-2,6-dione

3-[3-oxo-6-[4-(3-trimethylsilylprop-2-ynyl)piperazin-1-yl]-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 165175926) has the molecular formula C23H30N4O3Si and a molecular weight of 438.60 g/mol. Its IUPAC name is 3-[3-oxo-6-[4-(3-trimethylsilylprop-2-ynyl)piperazin-1-yl]-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[3-oxo-6-[4-(3-trimethylsilylprop-2-ynyl)piperazin-1-yl]-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID165175926
Molecular FormulaC23H30N4O3Si
Molecular Weight438.60 g/mol
Exact Mass438.21
IUPAC Name3-[3-oxo-6-[4-(3-trimethylsilylprop-2-ynyl)piperazin-1-yl]-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESC[Si](C)(C)C#CCN1CCN(c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)CC1
InChIInChI=1S/C23H30N4O3Si/c1-31(2,3)14-4-9-25-10-12-26(13-11-25)18-5-6-19-17(15-18)16-27(23(19)30)20-7-8-21(28)24-22(20)29/h5-6,15,20H,7-13,16H2,1-3H3,(H,24,28,29)
InChIKeyHDTRBGKHGXYDJI-UHFFFAOYSA-N
XLogP1.45
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.60
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[3-oxo-6-[4-(3-trimethylsilylprop-2-ynyl)piperazin-1-yl]-1H-isoindol-2-yl]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

3-(3-oxo-6-pyrrolidin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 166947626
3-[3-oxo-6-(4-pentylpiperazin-1-yl)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 178099790
(3S)-3-[6-[4-(azetidin-3-ylmethyl)piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171657570
(3S)-3-[6-(4-tert-butylpiperazin-1-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 176841784
3-[6-(4-hydroxypiperidin-1-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 162742094
3-[6-[4-[(1S)-1-iodoethyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 134579206
3-[6-[4-[[4-(hydroxymethyl)phenyl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 174279782
3-[6-(4-aminopiperidin-1-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 134579838
(3S)-3-[6-[4-(2-azaspiro[3.5]nonan-7-ylmethyl)piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171656880
4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidin-4-yl]methyl]piperazine-1-carbaldehyde
CID 178160768
3-[3-oxo-6-(4-piperidin-4-ylpiperazin-1-yl)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 135216805
3-[6-[4-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171514857

Frequently Asked Questions

What is the IUPAC name of 3-[3-oxo-6-[4-(3-trimethylsilylprop-2-ynyl)piperazin-1-yl]-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[3-oxo-6-[4-(3-trimethylsilylprop-2-ynyl)piperazin-1-yl]-1H-isoindol-2-yl]piperidine-2,6-dione (CID 165175926) is 3-[3-oxo-6-[4-(3-trimethylsilylprop-2-ynyl)piperazin-1-yl]-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[3-oxo-6-[4-(3-trimethylsilylprop-2-ynyl)piperazin-1-yl]-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[3-oxo-6-[4-(3-trimethylsilylprop-2-ynyl)piperazin-1-yl]-1H-isoindol-2-yl]piperidine-2,6-dione is C[Si](C)(C)C#CCN1CCN(c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)CC1.
What is the InChIKey of 3-[3-oxo-6-[4-(3-trimethylsilylprop-2-ynyl)piperazin-1-yl]-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is HDTRBGKHGXYDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3Si/c1-31(2,3)14-4-9-25-10-12-26(13-11-25)18-5-6-19-17(15-18)16-27(23(19)30)20-7-8-21(28)24-22(20)29/h5-6,15,20H,7-13,16H2,1-3H3,(H,24,28,29).
What are the key properties of 3-[3-oxo-6-[4-(3-trimethylsilylprop-2-ynyl)piperazin-1-yl]-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[3-oxo-6-[4-(3-trimethylsilylprop-2-ynyl)piperazin-1-yl]-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 438.60 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-oxo-6-[4-(3-trimethylsilylprop-2-ynyl)piperazin-1-yl]-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 165175926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).