(3S,5R,6R)-3,6-dibenzyl-5-[tert-butyl(dimethyl)silyl]oxypiperidin-2-one

C25H35NO2Si — CID 59032177

IUPAC(3S,5R,6R)-3,6-dibenzyl-5-[tert-butyl(dimethyl)silyl]oxypiperidin-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C[C@H](Cc2ccccc2)C(=O)N[C@@H]1Cc1ccccc1
InChIInChI=1S/C25H35NO2Si/c1-25(2,3)29(4,5)28-23-18-21(16-19-12-8-6-9-13-19)24(27)26-22(23)17-20-14-10-7-11-15-20/h6-15,21-23H,16-18H2,1-5H3,(H,26,27)/t21-,22+,23+/m0/s1
InChIKeyDRXXXJUYESPDJZ-YTFSRNRJSA-N
MW409.65 g/mol
LogP5.37
Rot. Bonds6

About (3S,5R,6R)-3,6-dibenzyl-5-[tert-butyl(dimethyl)silyl]oxypiperidin-2-one

(3S,5R,6R)-3,6-dibenzyl-5-[tert-butyl(dimethyl)silyl]oxypiperidin-2-one (PubChem CID 59032177) has the molecular formula C25H35NO2Si and a molecular weight of 409.65 g/mol. Its IUPAC name is (3S,5R,6R)-3,6-dibenzyl-5-[tert-butyl(dimethyl)silyl]oxypiperidin-2-one.

Molecular Properties

Compound Name(3S,5R,6R)-3,6-dibenzyl-5-[tert-butyl(dimethyl)silyl]oxypiperidin-2-one
PubChem CID59032177
Molecular FormulaC25H35NO2Si
Molecular Weight409.65 g/mol
Exact Mass409.24
IUPAC Name(3S,5R,6R)-3,6-dibenzyl-5-[tert-butyl(dimethyl)silyl]oxypiperidin-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C[C@H](Cc2ccccc2)C(=O)N[C@@H]1Cc1ccccc1
InChIInChI=1S/C25H35NO2Si/c1-25(2,3)29(4,5)28-23-18-21(16-19-12-8-6-9-13-19)24(27)26-22(23)17-20-14-10-7-11-15-20/h6-15,21-23H,16-18H2,1-5H3,(H,26,27)/t21-,22+,23+/m0/s1
InChIKeyDRXXXJUYESPDJZ-YTFSRNRJSA-N
XLogP5.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.65
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S)-2-[[(2R,4S,5S)-2-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenylhexanoyl]amino]-3-methylbutanoate
CID 44328473
(1R,3S)-3-((S)-1-acetamido-2-methylpropyl)-N-((2S,3S,5R)-6-(butylamino)-3-hydroxy-5-methyl-6-oxo-1-phenylhexan-2-yl)cyclohexanecarboxamide
CID 46217866
cis-(1R,3S)-3-[(1S)-1-acetamidoethyl]-N-[(2S,3S,5R)-6-(butylamino)-3-hydroxy-5-methyl-6-oxo-1-phenylhexan-2-yl]cyclohexane-1-carboxamide
CID 46218408
cis-(1R,3S)-3-[(1S)-1-acetamidopropyl]-N-[(2S,3S,5R)-6-(butylamino)-3-hydroxy-5-methyl-6-oxo-1-phenylhexan-2-yl]cyclohexane-1-carboxamide
CID 46218409
cis-(1R,3S)-3-[(1S)-1-acetamidobutyl]-N-[(2S,3S,5R)-6-(butylamino)-3-hydroxy-5-methyl-6-oxo-1-phenylhexan-2-yl]cyclohexane-1-carboxamide
CID 46218410
cis-(1R,3S)-3-[(1S)-1-acetamido-3-methylbutyl]-N-[(2S,3S,5R)-6-(butylamino)-3-hydroxy-5-methyl-6-oxo-1-phenylhexan-2-yl]cyclohexane-1-carboxamide
CID 46218523
tert-butyl N-[(1S,2S,4R)-1,4-dibenzyl-2-[tert-butyl(dimethyl)silyl]oxy-5-[[(1S)-1-carbamoyl-2-methyl-propyl]amino]-5-oxo-pentyl]carbamate
CID 453547
(5S,6S)-6-benzhydryl-5-hydroxypiperidin-2-one
CID 102303304
5-[2-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutyl]-2-fluoro-N'-(2-hydroxyethyl)-2-methylhexanediamide
CID 23439314
5-amino-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-fluoro-3-methylbutyl)-N-(2-hydroxyethyl)-6-phenylhexanamide
CID 69688833
5-amino-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-fluoro-3-methylbutyl)-N-(2-oxoethyl)-6-phenylhexanamide
CID 87951399
(5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-[2-(3-fluorophenyl)-2-oxoethyl]piperidin-2-one
CID 141759627

Frequently Asked Questions

What is the IUPAC name of (3S,5R,6R)-3,6-dibenzyl-5-[tert-butyl(dimethyl)silyl]oxypiperidin-2-one?
The IUPAC name of (3S,5R,6R)-3,6-dibenzyl-5-[tert-butyl(dimethyl)silyl]oxypiperidin-2-one (CID 59032177) is (3S,5R,6R)-3,6-dibenzyl-5-[tert-butyl(dimethyl)silyl]oxypiperidin-2-one.
What is the SMILES notation for (3S,5R,6R)-3,6-dibenzyl-5-[tert-butyl(dimethyl)silyl]oxypiperidin-2-one?
The canonical SMILES for (3S,5R,6R)-3,6-dibenzyl-5-[tert-butyl(dimethyl)silyl]oxypiperidin-2-one is CC(C)(C)[Si](C)(C)O[C@@H]1C[C@H](Cc2ccccc2)C(=O)N[C@@H]1Cc1ccccc1.
What is the InChIKey of (3S,5R,6R)-3,6-dibenzyl-5-[tert-butyl(dimethyl)silyl]oxypiperidin-2-one?
The InChIKey is DRXXXJUYESPDJZ-YTFSRNRJSA-N. The full InChI is InChI=1S/C25H35NO2Si/c1-25(2,3)29(4,5)28-23-18-21(16-19-12-8-6-9-13-19)24(27)26-22(23)17-20-14-10-7-11-15-20/h6-15,21-23H,16-18H2,1-5H3,(H,26,27)/t21-,22+,23+/m0/s1.
What are the key properties of (3S,5R,6R)-3,6-dibenzyl-5-[tert-butyl(dimethyl)silyl]oxypiperidin-2-one?
(3S,5R,6R)-3,6-dibenzyl-5-[tert-butyl(dimethyl)silyl]oxypiperidin-2-one has a molecular weight of 409.65 g/mol, XLogP of 5.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R,6R)-3,6-dibenzyl-5-[tert-butyl(dimethyl)silyl]oxypiperidin-2-one is sourced from PubChem (CID 59032177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).