benzyl (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxopiperidine-1-carboxylate

C20H31NO4Si — CID 52915467

IUPACbenzyl (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxopiperidine-1-carboxylate
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1CN(C(=O)OCc2ccccc2)CCC1=O
InChIInChI=1S/C20H31NO4Si/c1-20(2,3)26(4,5)25-15-17-13-21(12-11-18(17)22)19(23)24-14-16-9-7-6-8-10-16/h6-10,17H,11-15H2,1-5H3/t17-/m1/s1
InChIKeyIHPFEFDMJMESSJ-QGZVFWFLSA-N
MW377.56 g/mol
LogP4.24
Rot. Bonds5

About benzyl (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxopiperidine-1-carboxylate

benzyl (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxopiperidine-1-carboxylate (PubChem CID 52915467) has the molecular formula C20H31NO4Si and a molecular weight of 377.56 g/mol. Its IUPAC name is benzyl (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxopiperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxopiperidine-1-carboxylate
PubChem CID52915467
Molecular FormulaC20H31NO4Si
Molecular Weight377.56 g/mol
Exact Mass377.20
IUPAC Namebenzyl (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxopiperidine-1-carboxylate
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1CN(C(=O)OCc2ccccc2)CCC1=O
InChIInChI=1S/C20H31NO4Si/c1-20(2,3)26(4,5)25-15-17-13-21(12-11-18(17)22)19(23)24-14-16-9-7-6-8-10-16/h6-10,17H,11-15H2,1-5H3/t17-/m1/s1
InChIKeyIHPFEFDMJMESSJ-QGZVFWFLSA-N
XLogP4.24
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.56
LogP ≤ 54.24
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

benzyl 4-oxo-3-propylpiperidine-1-carboxylate
CID 91755235
benzyl (3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-cyanopiperazine-1-carboxylate
CID 140869942
benzyl (3R)-3-butyl-4-oxopiperidine-1-carboxylate
CID 124678777
4-oxo-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid
CID 53249825
benzyl 4-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-5-oxo-1,4-diazepane-1-carboxylate
CID 67074343
benzyl (4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-1,3-oxazolidine-3-carboxylate
CID 102150396
benzyl (2S,3aS,6aR)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-oxo-2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-1-carboxylate
CID 162782558
benzyl (3S)-3-(2-methoxy-2-oxoethyl)-4-oxopiperidine-1-carboxylate;trifluoromethylbenzene
CID 143554181
benzyl 3-isocyano-4-oxopiperidine-1-carboxylate
CID 123682168
benzyl (3S)-3-cyano-4-oxopiperidine-1-carboxylate
CID 86312007
dibenzyl 5-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]piperidine-1,3-dicarboxylate
CID 177236675
benzyl 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-azaspiro[2.4]heptane-5-carboxylate
CID 171372709

Frequently Asked Questions

What is the IUPAC name of benzyl (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxopiperidine-1-carboxylate?
The IUPAC name of benzyl (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxopiperidine-1-carboxylate (CID 52915467) is benzyl (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxopiperidine-1-carboxylate.
What is the SMILES notation for benzyl (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxopiperidine-1-carboxylate?
The canonical SMILES for benzyl (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxopiperidine-1-carboxylate is CC(C)(C)[Si](C)(C)OC[C@H]1CN(C(=O)OCc2ccccc2)CCC1=O.
What is the InChIKey of benzyl (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxopiperidine-1-carboxylate?
The InChIKey is IHPFEFDMJMESSJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H31NO4Si/c1-20(2,3)26(4,5)25-15-17-13-21(12-11-18(17)22)19(23)24-14-16-9-7-6-8-10-16/h6-10,17H,11-15H2,1-5H3/t17-/m1/s1.
What are the key properties of benzyl (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxopiperidine-1-carboxylate?
benzyl (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxopiperidine-1-carboxylate has a molecular weight of 377.56 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxopiperidine-1-carboxylate is sourced from PubChem (CID 52915467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).