(3S)-3-benzyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]piperazine-2,5-dione

C18H28N2O3Si — CID 10617741

IUPAC(3S)-3-benzyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]piperazine-2,5-dione
SMILESCC(C)(C)[Si](C)(C)OCC1NC(=O)[C@H](Cc2ccccc2)NC1=O
InChIInChI=1S/C18H28N2O3Si/c1-18(2,3)24(4,5)23-12-15-17(22)19-14(16(21)20-15)11-13-9-7-6-8-10-13/h6-10,14-15H,11-12H2,1-5H3,(H,19,22)(H,20,21)/t14-,15?/m0/s1
InChIKeyRBPHWMBGWJCZOW-MLCCFXAWSA-N
MW348.52 g/mol
LogP2.23
Rot. Bonds5

About (3S)-3-benzyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]piperazine-2,5-dione

(3S)-3-benzyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]piperazine-2,5-dione (PubChem CID 10617741) has the molecular formula C18H28N2O3Si and a molecular weight of 348.52 g/mol. Its IUPAC name is (3S)-3-benzyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]piperazine-2,5-dione.

Molecular Properties

Compound Name(3S)-3-benzyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]piperazine-2,5-dione
PubChem CID10617741
Molecular FormulaC18H28N2O3Si
Molecular Weight348.52 g/mol
Exact Mass348.19
IUPAC Name(3S)-3-benzyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]piperazine-2,5-dione
SMILESCC(C)(C)[Si](C)(C)OCC1NC(=O)[C@H](Cc2ccccc2)NC1=O
InChIInChI=1S/C18H28N2O3Si/c1-18(2,3)24(4,5)23-12-15-17(22)19-14(16(21)20-15)11-13-9-7-6-8-10-13/h6-10,14-15H,11-12H2,1-5H3,(H,19,22)(H,20,21)/t14-,15?/m0/s1
InChIKeyRBPHWMBGWJCZOW-MLCCFXAWSA-N
XLogP2.23
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.52
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylazetidin-2-one
CID 135070018
(3S,6S)-3-benzyl-6-(hydroxymethyl)piperazine-2,5-dione
CID 6951076
3-benzyl-6-butan-2-ylpiperazine-2,5-dione
CID 14278866
(3R,6S)-3-benzyl-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione
CID 15024343
tert-butyl-[(1,4-dibenzylpyrrolidin-3-yl)methoxy]-dimethylsilane
CID 69177639
(3R,6R,9R,12S,15S)-3-benzyl-6,12-bis(2-methylpropyl)-15-(phenylmethoxymethyl)-9-propan-2-yl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone
CID 45482602
(3S,6R)-3-benzyl-6-[(4-phenylmethoxyphenyl)methyl]piperazine-2,5-dione
CID 155535405
(5S)-5-(phenyl(113C)methyl)imidazolidine-2,4-dione
CID 53360215
6-benzylpiperazine-2,3,5-trione
CID 14446168
tert-butyl-dimethyl-(2-phenylethoxy)silane
CID 11128311
(4S,5S)-3-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-phenyl-1,3-oxazolidin-2-one
CID 15408396
(3S,4R)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethylazetidin-2-one
CID 15895933

Frequently Asked Questions

What is the IUPAC name of (3S)-3-benzyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]piperazine-2,5-dione?
The IUPAC name of (3S)-3-benzyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]piperazine-2,5-dione (CID 10617741) is (3S)-3-benzyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]piperazine-2,5-dione.
What is the SMILES notation for (3S)-3-benzyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]piperazine-2,5-dione?
The canonical SMILES for (3S)-3-benzyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]piperazine-2,5-dione is CC(C)(C)[Si](C)(C)OCC1NC(=O)[C@H](Cc2ccccc2)NC1=O.
What is the InChIKey of (3S)-3-benzyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]piperazine-2,5-dione?
The InChIKey is RBPHWMBGWJCZOW-MLCCFXAWSA-N. The full InChI is InChI=1S/C18H28N2O3Si/c1-18(2,3)24(4,5)23-12-15-17(22)19-14(16(21)20-15)11-13-9-7-6-8-10-13/h6-10,14-15H,11-12H2,1-5H3,(H,19,22)(H,20,21)/t14-,15?/m0/s1.
What are the key properties of (3S)-3-benzyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]piperazine-2,5-dione?
(3S)-3-benzyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]piperazine-2,5-dione has a molecular weight of 348.52 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-benzyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]piperazine-2,5-dione is sourced from PubChem (CID 10617741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).