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

C19H31NO3Si — CID 10315823

IUPAC(5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-(phenylmethoxymethyl)piperidin-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCC(=O)N[C@@H]1COCc1ccccc1
InChIInChI=1S/C19H31NO3Si/c1-19(2,3)24(4,5)23-17-11-12-18(21)20-16(17)14-22-13-15-9-7-6-8-10-15/h6-10,16-17H,11-14H2,1-5H3,(H,20,21)/t16-,17+/m1/s1
InChIKeyAYJPJROOMORTNW-SJORKVTESA-N
MW349.55 g/mol
LogP3.87
Rot. Bonds6

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

(5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-(phenylmethoxymethyl)piperidin-2-one (PubChem CID 10315823) has the molecular formula C19H31NO3Si and a molecular weight of 349.55 g/mol. Its IUPAC name is (5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-(phenylmethoxymethyl)piperidin-2-one.

Molecular Properties

Compound Name(5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-(phenylmethoxymethyl)piperidin-2-one
PubChem CID10315823
Molecular FormulaC19H31NO3Si
Molecular Weight349.55 g/mol
Exact Mass349.21
IUPAC Name(5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-(phenylmethoxymethyl)piperidin-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCC(=O)N[C@@H]1COCc1ccccc1
InChIInChI=1S/C19H31NO3Si/c1-19(2,3)24(4,5)23-17-11-12-18(21)20-16(17)14-22-13-15-9-7-6-8-10-15/h6-10,16-17H,11-14H2,1-5H3,(H,20,21)/t16-,17+/m1/s1
InChIKeyAYJPJROOMORTNW-SJORKVTESA-N
XLogP3.87
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.55
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-(phenylmethoxymethyl)piperidin-2-one?
The IUPAC name of (5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-(phenylmethoxymethyl)piperidin-2-one (CID 10315823) is (5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-(phenylmethoxymethyl)piperidin-2-one.
What is the SMILES notation for (5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-(phenylmethoxymethyl)piperidin-2-one?
The canonical SMILES for (5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-(phenylmethoxymethyl)piperidin-2-one is CC(C)(C)[Si](C)(C)O[C@H]1CCC(=O)N[C@@H]1COCc1ccccc1.
What is the InChIKey of (5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-(phenylmethoxymethyl)piperidin-2-one?
The InChIKey is AYJPJROOMORTNW-SJORKVTESA-N. The full InChI is InChI=1S/C19H31NO3Si/c1-19(2,3)24(4,5)23-17-11-12-18(21)20-16(17)14-22-13-15-9-7-6-8-10-15/h6-10,16-17H,11-14H2,1-5H3,(H,20,21)/t16-,17+/m1/s1.
What are the key properties of (5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-(phenylmethoxymethyl)piperidin-2-one?
(5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-(phenylmethoxymethyl)piperidin-2-one has a molecular weight of 349.55 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-(phenylmethoxymethyl)piperidin-2-one is sourced from PubChem (CID 10315823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).