benzyl (2S,3R)-2-methyl-6-oxo-3-tri(propan-2-yl)silyloxypiperidine-1-carboxylate

C23H37NO4Si — CID 10645767

IUPACbenzyl (2S,3R)-2-methyl-6-oxo-3-tri(propan-2-yl)silyloxypiperidine-1-carboxylate
SMILESCC(C)[Si](O[C@@H]1CCC(=O)N(C(=O)OCc2ccccc2)[C@H]1C)(C(C)C)C(C)C
InChIInChI=1S/C23H37NO4Si/c1-16(2)29(17(3)4,18(5)6)28-21-13-14-22(25)24(19(21)7)23(26)27-15-20-11-9-8-10-12-20/h8-12,16-19,21H,13-15H2,1-7H3/t19-,21+/m0/s1
InChIKeyWCCPUFSHVGJGFX-PZJWPPBQSA-N
MW419.64 g/mol
LogP5.89
Rot. Bonds7

About benzyl (2S,3R)-2-methyl-6-oxo-3-tri(propan-2-yl)silyloxypiperidine-1-carboxylate

benzyl (2S,3R)-2-methyl-6-oxo-3-tri(propan-2-yl)silyloxypiperidine-1-carboxylate (PubChem CID 10645767) has the molecular formula C23H37NO4Si and a molecular weight of 419.64 g/mol. Its IUPAC name is benzyl (2S,3R)-2-methyl-6-oxo-3-tri(propan-2-yl)silyloxypiperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2S,3R)-2-methyl-6-oxo-3-tri(propan-2-yl)silyloxypiperidine-1-carboxylate
PubChem CID10645767
Molecular FormulaC23H37NO4Si
Molecular Weight419.64 g/mol
Exact Mass419.25
IUPAC Namebenzyl (2S,3R)-2-methyl-6-oxo-3-tri(propan-2-yl)silyloxypiperidine-1-carboxylate
SMILESCC(C)[Si](O[C@@H]1CCC(=O)N(C(=O)OCc2ccccc2)[C@H]1C)(C(C)C)C(C)C
InChIInChI=1S/C23H37NO4Si/c1-16(2)29(17(3)4,18(5)6)28-21-13-14-22(25)24(19(21)7)23(26)27-15-20-11-9-8-10-12-20/h8-12,16-19,21H,13-15H2,1-7H3/t19-,21+/m0/s1
InChIKeyWCCPUFSHVGJGFX-PZJWPPBQSA-N
XLogP5.89
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.64
LogP ≤ 55.89
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

Phenylmethyl (2R,3S)-3-hydroxy-2-(2-oxopropyl)-1-piperidinecarboxylate
CID 11323759
benzyl (2S,3R)-3-hydroxy-2-(2-oxopropyl)piperidine-1-carboxylate
CID 44633082
BenZyl 4-[(t-butyldimethylsilyl)oxy]piperidine-1-carboxylate
CID 101381363
1-O-benzyl 3-O-methyl (3R,6R)-6-[(1S)-2,2,2-trifluoro-1-trimethylsilyloxyethyl]piperidine-1,3-dicarboxylate
CID 140866782
1-O-benzyl 3-O-methyl (3R,6S)-6-[(1R)-2,2,2-trifluoro-1-trimethylsilyloxyethyl]piperidine-1,3-dicarboxylate
CID 173640653
1-O-benzyl 3-O-methyl (3S)-6-(2,2,2-trifluoro-1-trimethylsilyloxyethyl)piperidine-1,3-dicarboxylate
CID 173640773
(5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-(phenylmethoxymethyl)piperidin-2-one
CID 10315823
benzyl (3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(iodomethyl)piperidine-1-carboxylate
CID 16202347
tert-butyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-3-phenylmethoxyazetidine-1-carboxylate
CID 23634960
tert-butyl (2S,3R)-2-methyl-6-oxo-3-phenylmethoxypiperidine-1-carboxylate
CID 24948889
tert-butyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(phenylmethoxymethyl)piperidine-1-carboxylate
CID 44179088
benzyl (2S,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-formyl-3-methylpyrrolidine-1-carboxylate
CID 45103067

Frequently Asked Questions

What is the IUPAC name of benzyl (2S,3R)-2-methyl-6-oxo-3-tri(propan-2-yl)silyloxypiperidine-1-carboxylate?
The IUPAC name of benzyl (2S,3R)-2-methyl-6-oxo-3-tri(propan-2-yl)silyloxypiperidine-1-carboxylate (CID 10645767) is benzyl (2S,3R)-2-methyl-6-oxo-3-tri(propan-2-yl)silyloxypiperidine-1-carboxylate.
What is the SMILES notation for benzyl (2S,3R)-2-methyl-6-oxo-3-tri(propan-2-yl)silyloxypiperidine-1-carboxylate?
The canonical SMILES for benzyl (2S,3R)-2-methyl-6-oxo-3-tri(propan-2-yl)silyloxypiperidine-1-carboxylate is CC(C)[Si](O[C@@H]1CCC(=O)N(C(=O)OCc2ccccc2)[C@H]1C)(C(C)C)C(C)C.
What is the InChIKey of benzyl (2S,3R)-2-methyl-6-oxo-3-tri(propan-2-yl)silyloxypiperidine-1-carboxylate?
The InChIKey is WCCPUFSHVGJGFX-PZJWPPBQSA-N. The full InChI is InChI=1S/C23H37NO4Si/c1-16(2)29(17(3)4,18(5)6)28-21-13-14-22(25)24(19(21)7)23(26)27-15-20-11-9-8-10-12-20/h8-12,16-19,21H,13-15H2,1-7H3/t19-,21+/m0/s1.
What are the key properties of benzyl (2S,3R)-2-methyl-6-oxo-3-tri(propan-2-yl)silyloxypiperidine-1-carboxylate?
benzyl (2S,3R)-2-methyl-6-oxo-3-tri(propan-2-yl)silyloxypiperidine-1-carboxylate has a molecular weight of 419.64 g/mol, XLogP of 5.89, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S,3R)-2-methyl-6-oxo-3-tri(propan-2-yl)silyloxypiperidine-1-carboxylate is sourced from PubChem (CID 10645767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).