benzyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-3-methoxy-3-oxoprop-1-enyl]piperidine-1-carboxylate

C23H35NO5Si — CID 11102109

IUPACbenzyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-3-methoxy-3-oxoprop-1-enyl]piperidine-1-carboxylate
SMILESCOC(=O)/C=C\[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C23H35NO5Si/c1-23(2,3)30(5,6)29-20-13-10-16-24(19(20)14-15-21(25)27-4)22(26)28-17-18-11-8-7-9-12-18/h7-9,11-12,14-15,19-20H,10,13,16-17H2,1-6H3/b15-14-/t19-,20+/m0/s1
InChIKeySEBGQUIJASPHBP-ATGVFMLPSA-N
MW433.62 g/mol
LogP4.91
Rot. Bonds6

About benzyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-3-methoxy-3-oxoprop-1-enyl]piperidine-1-carboxylate

benzyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-3-methoxy-3-oxoprop-1-enyl]piperidine-1-carboxylate (PubChem CID 11102109) has the molecular formula C23H35NO5Si and a molecular weight of 433.62 g/mol. Its IUPAC name is benzyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-3-methoxy-3-oxoprop-1-enyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-3-methoxy-3-oxoprop-1-enyl]piperidine-1-carboxylate
PubChem CID11102109
Molecular FormulaC23H35NO5Si
Molecular Weight433.62 g/mol
Exact Mass433.23
IUPAC Namebenzyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-3-methoxy-3-oxoprop-1-enyl]piperidine-1-carboxylate
SMILESCOC(=O)/C=C\[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C23H35NO5Si/c1-23(2,3)30(5,6)29-20-13-10-16-24(19(20)14-15-21(25)27-4)22(26)28-17-18-11-8-7-9-12-18/h7-9,11-12,14-15,19-20H,10,13,16-17H2,1-6H3/b15-14-/t19-,20+/m0/s1
InChIKeySEBGQUIJASPHBP-ATGVFMLPSA-N
XLogP4.91
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.62
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Benzyl 4-(2-ethoxy-2-oxoethylidene)piperidine-1-carboxylate
CID 12954053
Benzyl 3-acetyloxypiperidine-1-carboxylate
CID 15251723
BenZyl 4-[(t-butyldimethylsilyl)oxy]piperidine-1-carboxylate
CID 101381363
benzyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(4-fluorophenyl)piperidine-1-carboxylate
CID 11236115
Benzyl 4-fluoro-4-(2,2,2-trifluoro-1-triethylsilyloxyethyl)piperidine-1-carboxylate
CID 67401396
1-Benzyloxycarbonyl-4-[2,2,2-trifluoro-1-(triethylsiloxy)-ethyl]piperidine
CID 67401817
Benzyl 4-[tert-butyl(dimethyl)silyl]oxy-3-fluoropiperidine-1-carboxylate
CID 90151320
(2R)-5-[(2R,5R,6S)-N-(Benzyloxycarbonyl)-6-methyl-5-(triisopropylsiloxy)piperidin-2-yl]-2-hydroxy-4-pentyn-1-yl 2,2-dimethylpropionate
CID 10531431
(5R,6S)-N-(Benzyloxycarbonyl)-6-methyl-5-(triisopropylsiloxy)-2-piperidinone
CID 10645767
(2S,3R)-N-(Benzyloxycarbonyl)-6-vinyl-2-methyl-3-(triisopropylsiloxy)-1,2,3,4-tetrahydropyridine
CID 10741256
N-(Benzyloxycarbonyl)-6-vinyl-2-(triisopropylsiloxymethyl)-1,2,3,4-tetrahydropyridine
CID 10788725
1-O-benzyl 2-O-tert-butyl (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]diazinane-1,2-dicarboxylate
CID 11070637

Frequently Asked Questions

What is the IUPAC name of benzyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-3-methoxy-3-oxoprop-1-enyl]piperidine-1-carboxylate?
The IUPAC name of benzyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-3-methoxy-3-oxoprop-1-enyl]piperidine-1-carboxylate (CID 11102109) is benzyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-3-methoxy-3-oxoprop-1-enyl]piperidine-1-carboxylate.
What is the SMILES notation for benzyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-3-methoxy-3-oxoprop-1-enyl]piperidine-1-carboxylate?
The canonical SMILES for benzyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-3-methoxy-3-oxoprop-1-enyl]piperidine-1-carboxylate is COC(=O)/C=C\[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)CCCN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-3-methoxy-3-oxoprop-1-enyl]piperidine-1-carboxylate?
The InChIKey is SEBGQUIJASPHBP-ATGVFMLPSA-N. The full InChI is InChI=1S/C23H35NO5Si/c1-23(2,3)30(5,6)29-20-13-10-16-24(19(20)14-15-21(25)27-4)22(26)28-17-18-11-8-7-9-12-18/h7-9,11-12,14-15,19-20H,10,13,16-17H2,1-6H3/b15-14-/t19-,20+/m0/s1.
What are the key properties of benzyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-3-methoxy-3-oxoprop-1-enyl]piperidine-1-carboxylate?
benzyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-3-methoxy-3-oxoprop-1-enyl]piperidine-1-carboxylate has a molecular weight of 433.62 g/mol, XLogP of 4.91, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-3-methoxy-3-oxoprop-1-enyl]piperidine-1-carboxylate is sourced from PubChem (CID 11102109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).