(5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidin-2-one

C22H29NO2Si — CID 138981408

IUPAC(5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidin-2-one
SMILESCC(C)(C)[Si](OC[C@H]1CCC(=O)NC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H29NO2Si/c1-22(2,3)26(19-10-6-4-7-11-19,20-12-8-5-9-13-20)25-17-18-14-15-21(24)23-16-18/h4-13,18H,14-17H2,1-3H3,(H,23,24)/t18-/m0/s1
InChIKeyHPCVQFLXKWMAGD-SFHVURJKSA-N
MW367.56 g/mol
LogP3.09
Rot. Bonds5

About (5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidin-2-one

(5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidin-2-one (PubChem CID 138981408) has the molecular formula C22H29NO2Si and a molecular weight of 367.56 g/mol. Its IUPAC name is (5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidin-2-one.

Molecular Properties

Compound Name(5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidin-2-one
PubChem CID138981408
Molecular FormulaC22H29NO2Si
Molecular Weight367.56 g/mol
Exact Mass367.20
IUPAC Name(5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidin-2-one
SMILESCC(C)(C)[Si](OC[C@H]1CCC(=O)NC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H29NO2Si/c1-22(2,3)26(19-10-6-4-7-11-19,20-12-8-5-9-13-20)25-17-18-14-15-21(24)23-16-18/h4-13,18H,14-17H2,1-3H3,(H,23,24)/t18-/m0/s1
InChIKeyHPCVQFLXKWMAGD-SFHVURJKSA-N
XLogP3.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.56
LogP ≤ 53.09
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
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
(6R)-6-({[tert-Butyl(diphenyl)silyl]oxy}methyl)piperidin-2-one
CID 15391599
6-[[Tert-butyl(diphenyl)silyl]oxymethyl]piperidin-2-one
CID 15391600
(3R,4S)-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-ethylazetidin-2-one
CID 22844469
(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
N-[1-[[1-[tert-butyl(diphenyl)silyl]oxy-4-methylpentan-3-yl]-methylamino]-3-methyl-1-oxopentan-2-yl]-1-methylpiperidine-2-carboxamide
CID 59515972
4-((tert-Butyldiphenylsilyl)oxy)piperidin-2-one
CID 90295657
(4R)-4-[tert-butyl(diphenyl)silyl]oxypiperidin-2-one
CID 124674078
5-[Tert-butyl(diphenyl)silyl]oxypiperidin-2-one
CID 139271638

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidin-2-one?
The IUPAC name of (5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidin-2-one (CID 138981408) is (5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidin-2-one.
What is the SMILES notation for (5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidin-2-one?
The canonical SMILES for (5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidin-2-one is CC(C)(C)[Si](OC[C@H]1CCC(=O)NC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidin-2-one?
The InChIKey is HPCVQFLXKWMAGD-SFHVURJKSA-N. The full InChI is InChI=1S/C22H29NO2Si/c1-22(2,3)26(19-10-6-4-7-11-19,20-12-8-5-9-13-20)25-17-18-14-15-21(24)23-16-18/h4-13,18H,14-17H2,1-3H3,(H,23,24)/t18-/m0/s1.
What are the key properties of (5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidin-2-one?
(5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidin-2-one has a molecular weight of 367.56 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidin-2-one is sourced from PubChem (CID 138981408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).