1-O-tert-butyl 3-O-ethyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxopiperidine-1,3-dicarboxylate

C20H37NO6Si — CID 15386081

IUPAC1-O-tert-butyl 3-O-ethyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxopiperidine-1,3-dicarboxylate
SMILESCCOC(=O)C1CC(CO[Si](C)(C)C(C)(C)C)CN(C(=O)OC(C)(C)C)C1=O
InChIInChI=1S/C20H37NO6Si/c1-10-25-17(23)15-11-14(13-26-28(8,9)20(5,6)7)12-21(16(15)22)18(24)27-19(2,3)4/h14-15H,10-13H2,1-9H3
InChIKeyBYPQKXWMIIEGHY-UHFFFAOYSA-N
MW415.60 g/mol
LogP3.97
Rot. Bonds5

About 1-O-tert-butyl 3-O-ethyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxopiperidine-1,3-dicarboxylate

1-O-tert-butyl 3-O-ethyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxopiperidine-1,3-dicarboxylate (PubChem CID 15386081) has the molecular formula C20H37NO6Si and a molecular weight of 415.60 g/mol. Its IUPAC name is 1-O-tert-butyl 3-O-ethyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxopiperidine-1,3-dicarboxylate.

Molecular Properties

Compound Name1-O-tert-butyl 3-O-ethyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxopiperidine-1,3-dicarboxylate
PubChem CID15386081
Molecular FormulaC20H37NO6Si
Molecular Weight415.60 g/mol
Exact Mass415.24
IUPAC Name1-O-tert-butyl 3-O-ethyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxopiperidine-1,3-dicarboxylate
SMILESCCOC(=O)C1CC(CO[Si](C)(C)C(C)(C)C)CN(C(=O)OC(C)(C)C)C1=O
InChIInChI=1S/C20H37NO6Si/c1-10-25-17(23)15-11-14(13-26-28(8,9)20(5,6)7)12-21(16(15)22)18(24)27-19(2,3)4/h14-15H,10-13H2,1-9H3
InChIKeyBYPQKXWMIIEGHY-UHFFFAOYSA-N
XLogP3.97
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.60
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

1-O-tert-butyl 3-O-ethyl (3S)-2-oxopyrrolidine-1,3-dicarboxylate
CID 92980910
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethoxycarbonyl-4-oxopiperidine-1-carboxylic acid
CID 66590923
1-O-tert-butyl 2-O,4-O-diethyl (2S)-5-oxopyrrolidine-1,2,4-tricarboxylate
CID 171733199
tert-butyl (2S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 66733511
tert-butyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2,2-dimethylpropanoyloxymethyl)pyrrolidine-1-carboxylate
CID 68813626
3-O-benzyl 1-O-ethyl (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxopyrrolidine-1,3-dicarboxylate
CID 10410733
tert-butyl (2S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(cyclopropylmethoxy)pyrrolidine-1-carboxylate
CID 169084975
tert-butyl (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(113C)methyl-5-oxo-2H-pyrrole-1-carboxylate
CID 10947872
tert-butyl (1S,2S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-3-azabicyclo[3.2.0]heptane-3-carboxylate
CID 101491824
tert-butyl (2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]pyrrolidine-1-carboxylate
CID 56595124
tert-butyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydroindole-1-carboxylate
CID 134972074
tert-butyl (2S,5E)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(2-ethoxy-2-oxoethylidene)pyrrolidine-1-carboxylate
CID 134970492

Frequently Asked Questions

What is the IUPAC name of 1-O-tert-butyl 3-O-ethyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxopiperidine-1,3-dicarboxylate?
The IUPAC name of 1-O-tert-butyl 3-O-ethyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxopiperidine-1,3-dicarboxylate (CID 15386081) is 1-O-tert-butyl 3-O-ethyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxopiperidine-1,3-dicarboxylate.
What is the SMILES notation for 1-O-tert-butyl 3-O-ethyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxopiperidine-1,3-dicarboxylate?
The canonical SMILES for 1-O-tert-butyl 3-O-ethyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxopiperidine-1,3-dicarboxylate is CCOC(=O)C1CC(CO[Si](C)(C)C(C)(C)C)CN(C(=O)OC(C)(C)C)C1=O.
What is the InChIKey of 1-O-tert-butyl 3-O-ethyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxopiperidine-1,3-dicarboxylate?
The InChIKey is BYPQKXWMIIEGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37NO6Si/c1-10-25-17(23)15-11-14(13-26-28(8,9)20(5,6)7)12-21(16(15)22)18(24)27-19(2,3)4/h14-15H,10-13H2,1-9H3.
What are the key properties of 1-O-tert-butyl 3-O-ethyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxopiperidine-1,3-dicarboxylate?
1-O-tert-butyl 3-O-ethyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxopiperidine-1,3-dicarboxylate has a molecular weight of 415.60 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-tert-butyl 3-O-ethyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxopiperidine-1,3-dicarboxylate is sourced from PubChem (CID 15386081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).