(5S,6R)-1-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)piperidin-2-one

C19H31NO3Si — CID 10337911

IUPAC(5S,6R)-1-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)piperidin-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCC(=O)N(Cc2ccccc2)[C@@H]1CO
InChIInChI=1S/C19H31NO3Si/c1-19(2,3)24(4,5)23-17-11-12-18(22)20(16(17)14-21)13-15-9-7-6-8-10-15/h6-10,16-17,21H,11-14H2,1-5H3/t16-,17+/m1/s1
InChIKeyNOEKNOHGIYAKDO-SJORKVTESA-N
MW349.55 g/mol
LogP3.56
Rot. Bonds5

About (5S,6R)-1-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)piperidin-2-one

(5S,6R)-1-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)piperidin-2-one (PubChem CID 10337911) has the molecular formula C19H31NO3Si and a molecular weight of 349.55 g/mol. Its IUPAC name is (5S,6R)-1-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)piperidin-2-one.

Molecular Properties

Compound Name(5S,6R)-1-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)piperidin-2-one
PubChem CID10337911
Molecular FormulaC19H31NO3Si
Molecular Weight349.55 g/mol
Exact Mass349.21
IUPAC Name(5S,6R)-1-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)piperidin-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCC(=O)N(Cc2ccccc2)[C@@H]1CO
InChIInChI=1S/C19H31NO3Si/c1-19(2,3)24(4,5)23-17-11-12-18(22)20(16(17)14-21)13-15-9-7-6-8-10-15/h6-10,16-17,21H,11-14H2,1-5H3/t16-,17+/m1/s1
InChIKeyNOEKNOHGIYAKDO-SJORKVTESA-N
XLogP3.56
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.55
LogP ≤ 53.56
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

(5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(4-methoxyphenyl)methyl]-6-prop-2-enylpiperidin-2-one
CID 11234665
(3S,5R)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)pyrrolidin-2-one
CID 11371081
(5S)-1-benzyl-5-[tert-butyl(dimethyl)silyl]oxypiperidin-2-one
CID 102262809
(5S)-1-benzyl-5-(hydroxymethyl)pyrrolidin-2-one
CID 10442943
(5S)-1-benzyl-5-(1,1-dihydroxyethyl)pyrrolidin-2-one
CID 22845684
benzyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)piperidine-1-carboxylate
CID 11036265
(5S)-1-benzyl-5-tert-butylpyrrolidin-2-one
CID 141337970
(1R,4S,5S,6S)-2-benzyl-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2-azabicyclo[2.2.1]heptan-3-one
CID 11719572
1-benzyl-5-(2-hydroxyethyl)pyrrolidin-2-one
CID 115031392
(1S,4R,5S,6R)-2-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-azabicyclo[2.2.1]heptan-3-one
CID 101036633
(6S)-1-benzyl-6-(2-hydroxypropan-2-yl)piperidin-2-one
CID 101333052
(3S,4S)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-2,5-dione
CID 11102405

Frequently Asked Questions

What is the IUPAC name of (5S,6R)-1-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)piperidin-2-one?
The IUPAC name of (5S,6R)-1-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)piperidin-2-one (CID 10337911) is (5S,6R)-1-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)piperidin-2-one.
What is the SMILES notation for (5S,6R)-1-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)piperidin-2-one?
The canonical SMILES for (5S,6R)-1-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)piperidin-2-one is CC(C)(C)[Si](C)(C)O[C@H]1CCC(=O)N(Cc2ccccc2)[C@@H]1CO.
What is the InChIKey of (5S,6R)-1-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)piperidin-2-one?
The InChIKey is NOEKNOHGIYAKDO-SJORKVTESA-N. The full InChI is InChI=1S/C19H31NO3Si/c1-19(2,3)24(4,5)23-17-11-12-18(22)20(16(17)14-21)13-15-9-7-6-8-10-15/h6-10,16-17,21H,11-14H2,1-5H3/t16-,17+/m1/s1.
What are the key properties of (5S,6R)-1-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)piperidin-2-one?
(5S,6R)-1-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)piperidin-2-one has a molecular weight of 349.55 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R)-1-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)piperidin-2-one is sourced from PubChem (CID 10337911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).