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

C25H35NO2Si — CID 11589615

IUPAC(5R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-propylpiperidin-2-one
SMILESCCC[C@@H]1CCC(=O)N[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H35NO2Si/c1-5-12-20-17-18-24(27)26-23(20)19-28-29(25(2,3)4,21-13-8-6-9-14-21)22-15-10-7-11-16-22/h6-11,13-16,20,23H,5,12,17-19H2,1-4H3,(H,26,27)/t20-,23-/m1/s1
InChIKeyRDSMDYJJRYKHQH-NFBKMPQASA-N
MW409.65 g/mol
LogP4.26
Rot. Bonds7

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

(5R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-propylpiperidin-2-one (PubChem CID 11589615) has the molecular formula C25H35NO2Si and a molecular weight of 409.65 g/mol. Its IUPAC name is (5R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-propylpiperidin-2-one.

Molecular Properties

Compound Name(5R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-propylpiperidin-2-one
PubChem CID11589615
Molecular FormulaC25H35NO2Si
Molecular Weight409.65 g/mol
Exact Mass409.24
IUPAC Name(5R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-propylpiperidin-2-one
SMILESCCC[C@@H]1CCC(=O)N[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H35NO2Si/c1-5-12-20-17-18-24(27)26-23(20)19-28-29(25(2,3)4,21-13-8-6-9-14-21)22-15-10-7-11-16-22/h6-11,13-16,20,23H,5,12,17-19H2,1-4H3,(H,26,27)/t20-,23-/m1/s1
InChIKeyRDSMDYJJRYKHQH-NFBKMPQASA-N
XLogP4.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.65
LogP ≤ 54.26
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

(6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidin-2-one
CID 11682145
N,2-dicyclohexyl-2-triphenylsilyloxyacetamide
CID 102046475
(4S)-4-[tert-butyl(diphenyl)silyl]oxy-6-prop-2-ynylpiperidin-2-one
CID 134831232
(6R)-6-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-phenylethyl]piperidin-2-one
CID 134866999
N-[1-phenyl-3-tri(propan-2-yl)silyloxypropan-2-yl]cyclohexanecarboxamide
CID 138970075
(5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidin-2-one
CID 138981408
(6R)-6-({[tert-Butyl(diphenyl)silyl]oxy}methyl)piperidin-2-one
CID 15391599
6-[[Tert-butyl(diphenyl)silyl]oxymethyl]piperidin-2-one
CID 15391600
N-[1-[[[(1,1-Dimethylethyl)diphenylsilyl]oxy]methyl]-2-hydroxybutyl]Heptanamide
CID 54199636
N-[(2S,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypentan-2-yl]heptanamide
CID 57070793
N-[(2R,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypentan-2-yl]heptanamide
CID 57206099
(3S,5R,6R)-3,6-dibenzyl-5-[tert-butyl(dimethyl)silyl]oxypiperidin-2-one
CID 59032177

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-propylpiperidin-2-one?
The IUPAC name of (5R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-propylpiperidin-2-one (CID 11589615) is (5R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-propylpiperidin-2-one.
What is the SMILES notation for (5R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-propylpiperidin-2-one?
The canonical SMILES for (5R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-propylpiperidin-2-one is CCC[C@@H]1CCC(=O)N[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (5R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-propylpiperidin-2-one?
The InChIKey is RDSMDYJJRYKHQH-NFBKMPQASA-N. The full InChI is InChI=1S/C25H35NO2Si/c1-5-12-20-17-18-24(27)26-23(20)19-28-29(25(2,3)4,21-13-8-6-9-14-21)22-15-10-7-11-16-22/h6-11,13-16,20,23H,5,12,17-19H2,1-4H3,(H,26,27)/t20-,23-/m1/s1.
What are the key properties of (5R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-propylpiperidin-2-one?
(5R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-propylpiperidin-2-one has a molecular weight of 409.65 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-propylpiperidin-2-one is sourced from PubChem (CID 11589615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).