1,4-dibenzyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]piperazin-2-one

C25H36N2O2Si — CID 123771378

IUPAC1,4-dibenzyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]piperazin-2-one
SMILESCC(C)(C)[Si](C)(C)OCC1CN(Cc2ccccc2)CC(=O)N1Cc1ccccc1
InChIInChI=1S/C25H36N2O2Si/c1-25(2,3)30(4,5)29-20-23-18-26(16-21-12-8-6-9-13-21)19-24(28)27(23)17-22-14-10-7-11-15-22/h6-15,23H,16-20H2,1-5H3
InChIKeyNVMMGVGCBRLNNE-UHFFFAOYSA-N
MW424.66 g/mol
LogP4.92
Rot. Bonds7

About 1,4-dibenzyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]piperazin-2-one

1,4-dibenzyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]piperazin-2-one (PubChem CID 123771378) has the molecular formula C25H36N2O2Si and a molecular weight of 424.66 g/mol. Its IUPAC name is 1,4-dibenzyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]piperazin-2-one.

Molecular Properties

Compound Name1,4-dibenzyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]piperazin-2-one
PubChem CID123771378
Molecular FormulaC25H36N2O2Si
Molecular Weight424.66 g/mol
Exact Mass424.25
IUPAC Name1,4-dibenzyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]piperazin-2-one
SMILESCC(C)(C)[Si](C)(C)OCC1CN(Cc2ccccc2)CC(=O)N1Cc1ccccc1
InChIInChI=1S/C25H36N2O2Si/c1-25(2,3)30(4,5)29-20-23-18-26(16-21-12-8-6-9-13-21)19-24(28)27(23)17-22-14-10-7-11-15-22/h6-15,23H,16-20H2,1-5H3
InChIKeyNVMMGVGCBRLNNE-UHFFFAOYSA-N
XLogP4.92
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.66
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5R)-1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-2-one;(2R)-1-benzyl-5,5-dimethylpyrrolidine-2-carbaldehyde
CID 165026609
tert-butyl-[(1,4-dibenzylpyrrolidin-3-yl)methoxy]-dimethylsilane
CID 69177639
(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
(1-benzylpyrrolidin-2-yl)methoxy-tert-butyl-dimethylsilane
CID 44631754
(5R,6S)-1-benzyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[(S)-(4-methylphenyl)sulfinyl]-5-(2-phenylethyl)piperazin-2-one
CID 11635573
[(5S)-4-benzyl-4-azaspiro[2.4]heptan-5-yl]methoxy-tert-butyl-dimethylsilane
CID 131749610
4-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-2-(2-phenylmethoxyethyl)morpholin-3-one
CID 131747384
(1-benzyl-3,4-dimethylidenepyrrolidin-2-yl)methoxy-tert-butyl-dimethylsilane
CID 10980405
4-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-methylmorpholin-3-one
CID 131747383
2-[(2R)-4-benzyl-1-ethylpiperazin-2-yl]ethoxy-tert-butyl-dimethylsilane
CID 176897495
1-benzyl-3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]piperidin-4-one
CID 139909546

Frequently Asked Questions

What is the IUPAC name of 1,4-dibenzyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]piperazin-2-one?
The IUPAC name of 1,4-dibenzyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]piperazin-2-one (CID 123771378) is 1,4-dibenzyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]piperazin-2-one.
What is the SMILES notation for 1,4-dibenzyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]piperazin-2-one?
The canonical SMILES for 1,4-dibenzyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]piperazin-2-one is CC(C)(C)[Si](C)(C)OCC1CN(Cc2ccccc2)CC(=O)N1Cc1ccccc1.
What is the InChIKey of 1,4-dibenzyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]piperazin-2-one?
The InChIKey is NVMMGVGCBRLNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O2Si/c1-25(2,3)30(4,5)29-20-23-18-26(16-21-12-8-6-9-13-21)19-24(28)27(23)17-22-14-10-7-11-15-22/h6-15,23H,16-20H2,1-5H3.
What are the key properties of 1,4-dibenzyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]piperazin-2-one?
1,4-dibenzyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]piperazin-2-one has a molecular weight of 424.66 g/mol, XLogP of 4.92, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dibenzyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]piperazin-2-one is sourced from PubChem (CID 123771378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).