(4R,6R)-4-[tert-butyl(diphenyl)silyl]oxy-6-prop-2-enylpiperidin-2-one

C24H31NO2Si — CID 101209480

IUPAC(4R,6R)-4-[tert-butyl(diphenyl)silyl]oxy-6-prop-2-enylpiperidin-2-one
SMILESC=CC[C@@H]1C[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC(=O)N1
InChIInChI=1S/C24H31NO2Si/c1-5-12-19-17-20(18-23(26)25-19)27-28(24(2,3)4,21-13-8-6-9-14-21)22-15-10-7-11-16-22/h5-11,13-16,19-20H,1,12,17-18H2,2-4H3,(H,25,26)/t19-,20-/m1/s1
InChIKeyKOLRSMZXCUCVJE-WOJBJXKFSA-N
MW393.60 g/mol
LogP3.79
Rot. Bonds6

About (4R,6R)-4-[tert-butyl(diphenyl)silyl]oxy-6-prop-2-enylpiperidin-2-one

(4R,6R)-4-[tert-butyl(diphenyl)silyl]oxy-6-prop-2-enylpiperidin-2-one (PubChem CID 101209480) has the molecular formula C24H31NO2Si and a molecular weight of 393.60 g/mol. Its IUPAC name is (4R,6R)-4-[tert-butyl(diphenyl)silyl]oxy-6-prop-2-enylpiperidin-2-one.

Molecular Properties

Compound Name(4R,6R)-4-[tert-butyl(diphenyl)silyl]oxy-6-prop-2-enylpiperidin-2-one
PubChem CID101209480
Molecular FormulaC24H31NO2Si
Molecular Weight393.60 g/mol
Exact Mass393.21
IUPAC Name(4R,6R)-4-[tert-butyl(diphenyl)silyl]oxy-6-prop-2-enylpiperidin-2-one
SMILESC=CC[C@@H]1C[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC(=O)N1
InChIInChI=1S/C24H31NO2Si/c1-5-12-19-17-20(18-23(26)25-19)27-28(24(2,3)4,21-13-8-6-9-14-21)22-15-10-7-11-16-22/h5-11,13-16,19-20H,1,12,17-18H2,2-4H3,(H,25,26)/t19-,20-/m1/s1
InChIKeyKOLRSMZXCUCVJE-WOJBJXKFSA-N
XLogP3.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.60
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidin-2-one
CID 11682145
4-[Tert-butyl(diphenyl)silyl]oxy-6-methoxypiperidin-2-one
CID 11036387
(5R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-propylpiperidin-2-one
CID 11589615
(4S)-4-[tert-butyl(diphenyl)silyl]oxy-6-prop-2-ynylpiperidin-2-one
CID 134831232
(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
(5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methylpiperidin-2-one
CID 59094993
3-({[tert-Butyl(diphenyl)silyl]oxy}methyl)piperidin-2-one
CID 59410781

Frequently Asked Questions

What is the IUPAC name of (4R,6R)-4-[tert-butyl(diphenyl)silyl]oxy-6-prop-2-enylpiperidin-2-one?
The IUPAC name of (4R,6R)-4-[tert-butyl(diphenyl)silyl]oxy-6-prop-2-enylpiperidin-2-one (CID 101209480) is (4R,6R)-4-[tert-butyl(diphenyl)silyl]oxy-6-prop-2-enylpiperidin-2-one.
What is the SMILES notation for (4R,6R)-4-[tert-butyl(diphenyl)silyl]oxy-6-prop-2-enylpiperidin-2-one?
The canonical SMILES for (4R,6R)-4-[tert-butyl(diphenyl)silyl]oxy-6-prop-2-enylpiperidin-2-one is C=CC[C@@H]1C[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC(=O)N1.
What is the InChIKey of (4R,6R)-4-[tert-butyl(diphenyl)silyl]oxy-6-prop-2-enylpiperidin-2-one?
The InChIKey is KOLRSMZXCUCVJE-WOJBJXKFSA-N. The full InChI is InChI=1S/C24H31NO2Si/c1-5-12-19-17-20(18-23(26)25-19)27-28(24(2,3)4,21-13-8-6-9-14-21)22-15-10-7-11-16-22/h5-11,13-16,19-20H,1,12,17-18H2,2-4H3,(H,25,26)/t19-,20-/m1/s1.
What are the key properties of (4R,6R)-4-[tert-butyl(diphenyl)silyl]oxy-6-prop-2-enylpiperidin-2-one?
(4R,6R)-4-[tert-butyl(diphenyl)silyl]oxy-6-prop-2-enylpiperidin-2-one has a molecular weight of 393.60 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6R)-4-[tert-butyl(diphenyl)silyl]oxy-6-prop-2-enylpiperidin-2-one is sourced from PubChem (CID 101209480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).