(5S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylmethoxypiperidin-2-one

C29H35NO3Si — CID 101261245

IUPAC(5S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylmethoxypiperidin-2-one
SMILESCC(C)(C)[Si](OC[C@H]1NC(=O)CC[C@@H]1OCc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H35NO3Si/c1-29(2,3)34(24-15-9-5-10-16-24,25-17-11-6-12-18-25)33-22-26-27(19-20-28(31)30-26)32-21-23-13-7-4-8-14-23/h4-18,26-27H,19-22H2,1-3H3,(H,30,31)/t26-,27+/m1/s1
InChIKeyYKVDEKXHARNWNU-SXOMAYOGSA-N
MW473.69 g/mol
LogP4.43
Rot. Bonds8

About (5S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylmethoxypiperidin-2-one

(5S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylmethoxypiperidin-2-one (PubChem CID 101261245) has the molecular formula C29H35NO3Si and a molecular weight of 473.69 g/mol. Its IUPAC name is (5S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylmethoxypiperidin-2-one.

Molecular Properties

Compound Name(5S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylmethoxypiperidin-2-one
PubChem CID101261245
Molecular FormulaC29H35NO3Si
Molecular Weight473.69 g/mol
Exact Mass473.24
IUPAC Name(5S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylmethoxypiperidin-2-one
SMILESCC(C)(C)[Si](OC[C@H]1NC(=O)CC[C@@H]1OCc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H35NO3Si/c1-29(2,3)34(24-15-9-5-10-16-24,25-17-11-6-12-18-25)33-22-26-27(19-20-28(31)30-26)32-21-23-13-7-4-8-14-23/h4-18,26-27H,19-22H2,1-3H3,(H,30,31)/t26-,27+/m1/s1
InChIKeyYKVDEKXHARNWNU-SXOMAYOGSA-N
XLogP4.43
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.69
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4S,5R)-5-[4-[tert-butyl(diphenyl)silyl]oxybutyl]-4-phenylmethoxypyrrolidin-2-one
CID 122224826
5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-one
CID 58011546
(5S,6R)-6-methyl-5-phenylmethoxypiperidin-2-one
CID 44550895
tert-butyl-diphenyl-[[(2R,3S,5R)-5-phenyl-3-phenylmethoxyoxolan-2-yl]methoxy]silane
CID 102482306
tert-butyl-diphenyl-[[(4R,5R)-2-phenyl-5-phenylmethoxy-1,3-dioxan-4-yl]methoxy]silane
CID 142503970
(4S,5R)-5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-phenylmethoxypyrrolidin-2-one
CID 53253787
(5R,6S)-6-[(1S,2R)-3-[tert-butyl(dimethyl)silyl]oxy-1,2-dihydroxypropyl]-5-phenylmethoxypiperidin-2-one
CID 10024507
benzyl (2S,3R)-2-(dibenzylamino)-6-hydroxy-3-methylhexanoate;(5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methylpiperidin-2-one
CID 91197904
2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-one
CID 14862243
(2S,3Z,5S,6R)-2-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-5-methyl-6-phenylmethoxy-2,5,6,7-tetrahydrooxocin-8-one
CID 24905946
(5S)-5-[(Z)-6-[tert-butyl(diphenyl)silyl]oxyhex-1-enyl]pyrrolidin-2-one
CID 45103028
(3S,4R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-dihydroxypyrrolidin-2-one
CID 10667817

Frequently Asked Questions

What is the IUPAC name of (5S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylmethoxypiperidin-2-one?
The IUPAC name of (5S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylmethoxypiperidin-2-one (CID 101261245) is (5S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylmethoxypiperidin-2-one.
What is the SMILES notation for (5S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylmethoxypiperidin-2-one?
The canonical SMILES for (5S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylmethoxypiperidin-2-one is CC(C)(C)[Si](OC[C@H]1NC(=O)CC[C@@H]1OCc1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (5S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylmethoxypiperidin-2-one?
The InChIKey is YKVDEKXHARNWNU-SXOMAYOGSA-N. The full InChI is InChI=1S/C29H35NO3Si/c1-29(2,3)34(24-15-9-5-10-16-24,25-17-11-6-12-18-25)33-22-26-27(19-20-28(31)30-26)32-21-23-13-7-4-8-14-23/h4-18,26-27H,19-22H2,1-3H3,(H,30,31)/t26-,27+/m1/s1.
What are the key properties of (5S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylmethoxypiperidin-2-one?
(5S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylmethoxypiperidin-2-one has a molecular weight of 473.69 g/mol, XLogP of 4.43, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylmethoxypiperidin-2-one is sourced from PubChem (CID 101261245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).