4-[tert-butyl(diphenyl)silyl]oxy-1-[(3R)-5,5-difluoropiperidin-3-yl]piperidin-2-one

C26H34F2N2O2Si — CID 171523836

IUPAC4-[tert-butyl(diphenyl)silyl]oxy-1-[(3R)-5,5-difluoropiperidin-3-yl]piperidin-2-one
SMILESCC(C)(C)[Si](OC1CCN([C@H]2CNCC(F)(F)C2)C(=O)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H34F2N2O2Si/c1-25(2,3)33(22-10-6-4-7-11-22,23-12-8-5-9-13-23)32-21-14-15-30(24(31)16-21)20-17-26(27,28)19-29-18-20/h4-13,20-21,29H,14-19H2,1-3H3/t20-,21?/m1/s1
InChIKeyLZRQDUJUFGSVGX-VQCQRNETSA-N
MW472.65 g/mol
LogP3.55
Rot. Bonds5

About 4-[tert-butyl(diphenyl)silyl]oxy-1-[(3R)-5,5-difluoropiperidin-3-yl]piperidin-2-one

4-[tert-butyl(diphenyl)silyl]oxy-1-[(3R)-5,5-difluoropiperidin-3-yl]piperidin-2-one (PubChem CID 171523836) has the molecular formula C26H34F2N2O2Si and a molecular weight of 472.65 g/mol. Its IUPAC name is 4-[tert-butyl(diphenyl)silyl]oxy-1-[(3R)-5,5-difluoropiperidin-3-yl]piperidin-2-one.

Molecular Properties

Compound Name4-[tert-butyl(diphenyl)silyl]oxy-1-[(3R)-5,5-difluoropiperidin-3-yl]piperidin-2-one
PubChem CID171523836
Molecular FormulaC26H34F2N2O2Si
Molecular Weight472.65 g/mol
Exact Mass472.24
IUPAC Name4-[tert-butyl(diphenyl)silyl]oxy-1-[(3R)-5,5-difluoropiperidin-3-yl]piperidin-2-one
SMILESCC(C)(C)[Si](OC1CCN([C@H]2CNCC(F)(F)C2)C(=O)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H34F2N2O2Si/c1-25(2,3)33(22-10-6-4-7-11-22,23-12-8-5-9-13-23)32-21-14-15-30(24(31)16-21)20-17-26(27,28)19-29-18-20/h4-13,20-21,29H,14-19H2,1-3H3/t20-,21?/m1/s1
InChIKeyLZRQDUJUFGSVGX-VQCQRNETSA-N
XLogP3.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.65
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[tert-butyl(diphenyl)silyl]oxy-1-[(3R)-5,5-difluoropiperidin-3-yl]piperidin-2-one with MolForge

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Related Compounds

tert-butyl (5R)-5-[[3-[tert-butyl(diphenyl)silyl]oxy-5-chloropentanoyl]amino]-3,3-difluoropiperidine-1-carboxylate
CID 171523926
tert-butyl (5R)-5-[[3-[tert-butyl(diphenyl)silyl]oxy-5-iodopentanoyl]amino]-3,3-difluoropiperidine-1-carboxylate
CID 171523927
tert-butyl (5R)-5-[4-[tert-butyl(diphenyl)silyl]oxy-2-oxopiperidin-1-yl]-3,3-difluoropiperidine-1-carboxylate
CID 171523937
4-[tert-butyl(diphenyl)silyl]oxy-1-[(3R)-5,5-difluoropiperidin-3-yl]piperidin-2-one;2,2,2-trifluoroacetic acid
CID 176023977
tert-butyl (4S,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopiperidine-1-carboxylate
CID 11713890
4-((tert-Butyldiphenylsilyl)oxy)piperidin-2-one
CID 90295657
(4R)-4-[tert-butyl(diphenyl)silyl]oxypiperidin-2-one
CID 124674078
(4aS,8aS)-4-[tert-butyl(diphenyl)silyl]oxy-3,4,4a,5,6,7,8,8a-octahydro-1H-1,7-naphthyridin-2-one
CID 156674365
(8S,8aR)-8-[tert-butyl(diphenyl)silyl]oxy-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
CID 156788153
(8S,8aS)-8-[tert-butyl(diphenyl)silyl]oxy-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
CID 156788175
tert-butyl N-[(3R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-6-oxopiperidin-3-yl]carbamate
CID 11540020
(4S)-4-[tert-butyl(diphenyl)silyl]oxypiperidin-2-one
CID 124674079

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(diphenyl)silyl]oxy-1-[(3R)-5,5-difluoropiperidin-3-yl]piperidin-2-one?
The IUPAC name of 4-[tert-butyl(diphenyl)silyl]oxy-1-[(3R)-5,5-difluoropiperidin-3-yl]piperidin-2-one (CID 171523836) is 4-[tert-butyl(diphenyl)silyl]oxy-1-[(3R)-5,5-difluoropiperidin-3-yl]piperidin-2-one.
What is the SMILES notation for 4-[tert-butyl(diphenyl)silyl]oxy-1-[(3R)-5,5-difluoropiperidin-3-yl]piperidin-2-one?
The canonical SMILES for 4-[tert-butyl(diphenyl)silyl]oxy-1-[(3R)-5,5-difluoropiperidin-3-yl]piperidin-2-one is CC(C)(C)[Si](OC1CCN([C@H]2CNCC(F)(F)C2)C(=O)C1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-[tert-butyl(diphenyl)silyl]oxy-1-[(3R)-5,5-difluoropiperidin-3-yl]piperidin-2-one?
The InChIKey is LZRQDUJUFGSVGX-VQCQRNETSA-N. The full InChI is InChI=1S/C26H34F2N2O2Si/c1-25(2,3)33(22-10-6-4-7-11-22,23-12-8-5-9-13-23)32-21-14-15-30(24(31)16-21)20-17-26(27,28)19-29-18-20/h4-13,20-21,29H,14-19H2,1-3H3/t20-,21?/m1/s1.
What are the key properties of 4-[tert-butyl(diphenyl)silyl]oxy-1-[(3R)-5,5-difluoropiperidin-3-yl]piperidin-2-one?
4-[tert-butyl(diphenyl)silyl]oxy-1-[(3R)-5,5-difluoropiperidin-3-yl]piperidin-2-one has a molecular weight of 472.65 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(diphenyl)silyl]oxy-1-[(3R)-5,5-difluoropiperidin-3-yl]piperidin-2-one is sourced from PubChem (CID 171523836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).