3-[4-[3-[tert-butyl(dimethyl)silyl]oxyazetidin-1-yl]-2,6-difluorophenyl]piperidine-2,6-dione

C20H28F2N2O3Si — CID 172616861

IUPAC3-[4-[3-[tert-butyl(dimethyl)silyl]oxyazetidin-1-yl]-2,6-difluorophenyl]piperidine-2,6-dione
SMILESCC(C)(C)[Si](C)(C)OC1CN(c2cc(F)c(C3CCC(=O)NC3=O)c(F)c2)C1
InChIInChI=1S/C20H28F2N2O3Si/c1-20(2,3)28(4,5)27-13-10-24(11-13)12-8-15(21)18(16(22)9-12)14-6-7-17(25)23-19(14)26/h8-9,13-14H,6-7,10-11H2,1-5H3,(H,23,25,26)
InChIKeyFQCBZZBREXUYJU-UHFFFAOYSA-N
MW410.54 g/mol
LogP3.70
Rot. Bonds4

About 3-[4-[3-[tert-butyl(dimethyl)silyl]oxyazetidin-1-yl]-2,6-difluorophenyl]piperidine-2,6-dione

3-[4-[3-[tert-butyl(dimethyl)silyl]oxyazetidin-1-yl]-2,6-difluorophenyl]piperidine-2,6-dione (PubChem CID 172616861) has the molecular formula C20H28F2N2O3Si and a molecular weight of 410.54 g/mol. Its IUPAC name is 3-[4-[3-[tert-butyl(dimethyl)silyl]oxyazetidin-1-yl]-2,6-difluorophenyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[4-[3-[tert-butyl(dimethyl)silyl]oxyazetidin-1-yl]-2,6-difluorophenyl]piperidine-2,6-dione
PubChem CID172616861
Molecular FormulaC20H28F2N2O3Si
Molecular Weight410.54 g/mol
Exact Mass410.18
IUPAC Name3-[4-[3-[tert-butyl(dimethyl)silyl]oxyazetidin-1-yl]-2,6-difluorophenyl]piperidine-2,6-dione
SMILESCC(C)(C)[Si](C)(C)OC1CN(c2cc(F)c(C3CCC(=O)NC3=O)c(F)c2)C1
InChIInChI=1S/C20H28F2N2O3Si/c1-20(2,3)28(4,5)27-13-10-24(11-13)12-8-15(21)18(16(22)9-12)14-6-7-17(25)23-19(14)26/h8-9,13-14H,6-7,10-11H2,1-5H3,(H,23,25,26)
InChIKeyFQCBZZBREXUYJU-UHFFFAOYSA-N
XLogP3.70
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[1-[4-[(3S)-2,6-dioxopiperidin-3-yl]-3,5-difluorophenyl]azetidin-3-yl] N-cyclopropylcarbamate
CID 170155051
3-[4-(3-aminoazetidin-1-yl)-2-fluoro-6-methylphenyl]piperidine-2,6-dione
CID 171541260
1-[4-[(3S)-2,6-dioxopiperidin-3-yl]-3,5-difluorophenyl]pyrrolidine-3-carboxylic acid
CID 170107094
3-[4-[(4R)-4-amino-2-oxopyrrolidin-1-yl]-2,6-difluorophenyl]piperidine-2,6-dione
CID 171541033
[1-(3-methyl-2-pyridinyl)azetidin-3-yl] N-[1-[4-(2,6-dioxopiperidin-3-yl)-3,5-difluorophenyl]azetidin-3-yl]carbamate
CID 171541146
3-[2,6-difluoro-4-[3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]azetidin-1-yl]phenyl]piperidine-2,6-dione
CID 171541019
tert-butyl 4-[4-[4-(2,6-dioxopiperidin-3-yl)-3,5-difluorophenyl]-2-oxopiperazin-1-yl]piperidine-1-carboxylate
CID 170185752
2-[1-[4-(2,6-dioxopiperidin-3-yl)-3,5-difluorophenyl]piperidin-4-yl]acetaldehyde
CID 166947439
1-(3,5-dimethylphenyl)-3-[1-[4-[(3R)-2,6-dioxopiperidin-3-yl]-3,5-difluorophenyl]azetidin-3-yl]urea
CID 170155759
[1-[4-(2,6-dioxopiperidin-3-yl)-3,5-difluorophenyl]azetidin-3-yl]-(2-methylsulfanylethyl)carbamic acid
CID 170173051
[(3S)-1-(dimethylcarbamoyl)pyrrolidin-3-yl] N-[1-[4-(2,6-dioxopiperidin-3-yl)-3,5-difluorophenyl]azetidin-3-yl]carbamate
CID 171541378
[1-[cyclopropyl(methyl)carbamoyl]azetidin-3-yl] N-[1-[4-(2,6-dioxopiperidin-3-yl)-3,5-difluorophenyl]azetidin-3-yl]carbamate
CID 171541012

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-[tert-butyl(dimethyl)silyl]oxyazetidin-1-yl]-2,6-difluorophenyl]piperidine-2,6-dione?
The IUPAC name of 3-[4-[3-[tert-butyl(dimethyl)silyl]oxyazetidin-1-yl]-2,6-difluorophenyl]piperidine-2,6-dione (CID 172616861) is 3-[4-[3-[tert-butyl(dimethyl)silyl]oxyazetidin-1-yl]-2,6-difluorophenyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[4-[3-[tert-butyl(dimethyl)silyl]oxyazetidin-1-yl]-2,6-difluorophenyl]piperidine-2,6-dione?
The canonical SMILES for 3-[4-[3-[tert-butyl(dimethyl)silyl]oxyazetidin-1-yl]-2,6-difluorophenyl]piperidine-2,6-dione is CC(C)(C)[Si](C)(C)OC1CN(c2cc(F)c(C3CCC(=O)NC3=O)c(F)c2)C1.
What is the InChIKey of 3-[4-[3-[tert-butyl(dimethyl)silyl]oxyazetidin-1-yl]-2,6-difluorophenyl]piperidine-2,6-dione?
The InChIKey is FQCBZZBREXUYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28F2N2O3Si/c1-20(2,3)28(4,5)27-13-10-24(11-13)12-8-15(21)18(16(22)9-12)14-6-7-17(25)23-19(14)26/h8-9,13-14H,6-7,10-11H2,1-5H3,(H,23,25,26).
What are the key properties of 3-[4-[3-[tert-butyl(dimethyl)silyl]oxyazetidin-1-yl]-2,6-difluorophenyl]piperidine-2,6-dione?
3-[4-[3-[tert-butyl(dimethyl)silyl]oxyazetidin-1-yl]-2,6-difluorophenyl]piperidine-2,6-dione has a molecular weight of 410.54 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-[tert-butyl(dimethyl)silyl]oxyazetidin-1-yl]-2,6-difluorophenyl]piperidine-2,6-dione is sourced from PubChem (CID 172616861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).