benzyl (5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxopiperidine-1-carboxylate

C30H35NO4Si — CID 46846085

IUPACbenzyl (5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxopiperidine-1-carboxylate
SMILESCC(C)(C)[Si](OC[C@H]1CCC(=O)N(C(=O)OCc2ccccc2)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H35NO4Si/c1-30(2,3)36(26-15-9-5-10-16-26,27-17-11-6-12-18-27)35-23-25-19-20-28(32)31(21-25)29(33)34-22-24-13-7-4-8-14-24/h4-18,25H,19-23H2,1-3H3/t25-/m0/s1
InChIKeyLRTLPIHLINJBRX-VWLOTQADSA-N
MW501.70 g/mol
LogP5.14
Rot. Bonds7

About benzyl (5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxopiperidine-1-carboxylate

benzyl (5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxopiperidine-1-carboxylate (PubChem CID 46846085) has the molecular formula C30H35NO4Si and a molecular weight of 501.70 g/mol. Its IUPAC name is benzyl (5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxopiperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxopiperidine-1-carboxylate
PubChem CID46846085
Molecular FormulaC30H35NO4Si
Molecular Weight501.70 g/mol
Exact Mass501.23
IUPAC Namebenzyl (5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxopiperidine-1-carboxylate
SMILESCC(C)(C)[Si](OC[C@H]1CCC(=O)N(C(=O)OCc2ccccc2)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H35NO4Si/c1-30(2,3)36(26-15-9-5-10-16-26,27-17-11-6-12-18-27)35-23-25-19-20-28(32)31(21-25)29(33)34-22-24-13-7-4-8-14-24/h4-18,25H,19-23H2,1-3H3/t25-/m0/s1
InChIKeyLRTLPIHLINJBRX-VWLOTQADSA-N
XLogP5.14
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.70
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzyl (5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxopiperidine-1-carboxylate?
The IUPAC name of benzyl (5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxopiperidine-1-carboxylate (CID 46846085) is benzyl (5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxopiperidine-1-carboxylate.
What is the SMILES notation for benzyl (5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxopiperidine-1-carboxylate?
The canonical SMILES for benzyl (5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxopiperidine-1-carboxylate is CC(C)(C)[Si](OC[C@H]1CCC(=O)N(C(=O)OCc2ccccc2)C1)(c1ccccc1)c1ccccc1.
What is the InChIKey of benzyl (5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxopiperidine-1-carboxylate?
The InChIKey is LRTLPIHLINJBRX-VWLOTQADSA-N. The full InChI is InChI=1S/C30H35NO4Si/c1-30(2,3)36(26-15-9-5-10-16-26,27-17-11-6-12-18-27)35-23-25-19-20-28(32)31(21-25)29(33)34-22-24-13-7-4-8-14-24/h4-18,25H,19-23H2,1-3H3/t25-/m0/s1.
What are the key properties of benzyl (5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxopiperidine-1-carboxylate?
benzyl (5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxopiperidine-1-carboxylate has a molecular weight of 501.70 g/mol, XLogP of 5.14, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxopiperidine-1-carboxylate is sourced from PubChem (CID 46846085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).