benzyl (4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(4-fluorophenyl)-2-oxopiperidine-1-carboxylate

C36H38FNO4Si — CID 46846087

IUPACbenzyl (4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(4-fluorophenyl)-2-oxopiperidine-1-carboxylate
SMILESCC(C)(C)[Si](OC[C@@H]1CN(C(=O)OCc2ccccc2)C(=O)C[C@H]1c1ccc(F)cc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H38FNO4Si/c1-36(2,3)43(31-15-9-5-10-16-31,32-17-11-6-12-18-32)42-26-29-24-38(35(40)41-25-27-13-7-4-8-14-27)34(39)23-33(29)28-19-21-30(37)22-20-28/h4-22,29,33H,23-26H2,1-3H3/t29-,33-/m0/s1
InChIKeyTZFFUROBPYRYHD-ZQAZVOLISA-N
MW595.79 g/mol
LogP6.67
Rot. Bonds8

About benzyl (4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(4-fluorophenyl)-2-oxopiperidine-1-carboxylate

benzyl (4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(4-fluorophenyl)-2-oxopiperidine-1-carboxylate (PubChem CID 46846087) has the molecular formula C36H38FNO4Si and a molecular weight of 595.79 g/mol. Its IUPAC name is benzyl (4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(4-fluorophenyl)-2-oxopiperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(4-fluorophenyl)-2-oxopiperidine-1-carboxylate
PubChem CID46846087
Molecular FormulaC36H38FNO4Si
Molecular Weight595.79 g/mol
Exact Mass595.26
IUPAC Namebenzyl (4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(4-fluorophenyl)-2-oxopiperidine-1-carboxylate
SMILESCC(C)(C)[Si](OC[C@@H]1CN(C(=O)OCc2ccccc2)C(=O)C[C@H]1c1ccc(F)cc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H38FNO4Si/c1-36(2,3)43(31-15-9-5-10-16-31,32-17-11-6-12-18-32)42-26-29-24-38(35(40)41-25-27-13-7-4-8-14-27)34(39)23-33(29)28-19-21-30(37)22-20-28/h4-22,29,33H,23-26H2,1-3H3/t29-,33-/m0/s1
InChIKeyTZFFUROBPYRYHD-ZQAZVOLISA-N
XLogP6.67
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.79
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dibenzyl (3R,5S)-4-(4-fluorophenyl)-1-methyl-2,6-dioxopiperidine-3,5-dicarboxylate
CID 25155454
4-[1-Ethoxycarbonyl-2-(2,4,5-trifluoro-phenyl)-ethyl]-piperidine-1-carboxylic acid benzyl ester
CID 59009416
1-Benzyl 3-methyl 4-(3-fluoro-4-methylphenyl)piperidine-1,3-dicarboxylate
CID 86693743
benzyl (5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxopiperidine-1-carboxylate
CID 46846085
Benzyl 1-ethyl-4-(4-fluorophenyl)-2,6-dioxopiperidine-3-carboxylate
CID 10292516
dibenzyl (3S,5R)-1-benzyl-4-(4-fluorophenyl)-2,6-dioxopiperidine-3,5-dicarboxylate
CID 25155727
5-(tert-Butyl-diphenyl-silanyloxy)-4-(4-fluoro-phenyl)-2-oxo-piperidine-1-carboxylic acid tert-butyl ester
CID 133655840
1-O-benzyl 3-O-ethyl 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(3-phenylphenyl)piperidine-1,3-dicarboxylate
CID 66590080
1-O-benzyl 3-O-methyl 4-(3-fluoro-4-methylphenyl)piperidine-1,3-dicarboxylate;4-(3-fluoro-4-methylphenyl)-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid
CID 157224112
Benzyl 4-[1-ethoxy-1-oxo-3-(2,4,5-trifluorophenyl)propan-2-yl]piperidine-1-carboxylate;2-(1-phenylmethoxycarbonylpiperidin-4-yl)-3-(2,4,5-trifluorophenyl)propanoic acid
CID 161230572
benzyl (6S)-3,5-bis[[tert-butyl(diphenyl)silyl]oxymethyl]-7-oxo-8-azaspiro[5.6]dodec-3-ene-8-carboxylate
CID 101153980
benzyl (6S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyl-7-oxo-8-azaspiro[5.6]dodec-3-ene-8-carboxylate
CID 101153982

Frequently Asked Questions

What is the IUPAC name of benzyl (4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(4-fluorophenyl)-2-oxopiperidine-1-carboxylate?
The IUPAC name of benzyl (4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(4-fluorophenyl)-2-oxopiperidine-1-carboxylate (CID 46846087) is benzyl (4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(4-fluorophenyl)-2-oxopiperidine-1-carboxylate.
What is the SMILES notation for benzyl (4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(4-fluorophenyl)-2-oxopiperidine-1-carboxylate?
The canonical SMILES for benzyl (4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(4-fluorophenyl)-2-oxopiperidine-1-carboxylate is CC(C)(C)[Si](OC[C@@H]1CN(C(=O)OCc2ccccc2)C(=O)C[C@H]1c1ccc(F)cc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of benzyl (4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(4-fluorophenyl)-2-oxopiperidine-1-carboxylate?
The InChIKey is TZFFUROBPYRYHD-ZQAZVOLISA-N. The full InChI is InChI=1S/C36H38FNO4Si/c1-36(2,3)43(31-15-9-5-10-16-31,32-17-11-6-12-18-32)42-26-29-24-38(35(40)41-25-27-13-7-4-8-14-27)34(39)23-33(29)28-19-21-30(37)22-20-28/h4-22,29,33H,23-26H2,1-3H3/t29-,33-/m0/s1.
What are the key properties of benzyl (4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(4-fluorophenyl)-2-oxopiperidine-1-carboxylate?
benzyl (4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(4-fluorophenyl)-2-oxopiperidine-1-carboxylate has a molecular weight of 595.79 g/mol, XLogP of 6.67, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(4-fluorophenyl)-2-oxopiperidine-1-carboxylate is sourced from PubChem (CID 46846087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).