tert-butyl 4-[4-[(3R)-3-fluoro-2,6-dioxopiperidin-3-yl]phenyl]piperidine-1-carboxylate

C21H27FN2O4 — CID 170737574

IUPACtert-butyl 4-[4-[(3R)-3-fluoro-2,6-dioxopiperidin-3-yl]phenyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2ccc([C@]3(F)CCC(=O)NC3=O)cc2)CC1
InChIInChI=1S/C21H27FN2O4/c1-20(2,3)28-19(27)24-12-9-15(10-13-24)14-4-6-16(7-5-14)21(22)11-8-17(25)23-18(21)26/h4-7,15H,8-13H2,1-3H3,(H,23,25,26)/t21-/m1/s1
InChIKeyGBUZVNKSROGPLE-OAQYLSRUSA-N
MW390.46 g/mol
LogP3.40
Rot. Bonds2

About tert-butyl 4-[4-[(3R)-3-fluoro-2,6-dioxopiperidin-3-yl]phenyl]piperidine-1-carboxylate

tert-butyl 4-[4-[(3R)-3-fluoro-2,6-dioxopiperidin-3-yl]phenyl]piperidine-1-carboxylate (PubChem CID 170737574) has the molecular formula C21H27FN2O4 and a molecular weight of 390.46 g/mol. Its IUPAC name is tert-butyl 4-[4-[(3R)-3-fluoro-2,6-dioxopiperidin-3-yl]phenyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[4-[(3R)-3-fluoro-2,6-dioxopiperidin-3-yl]phenyl]piperidine-1-carboxylate
PubChem CID170737574
Molecular FormulaC21H27FN2O4
Molecular Weight390.46 g/mol
Exact Mass390.20
IUPAC Nametert-butyl 4-[4-[(3R)-3-fluoro-2,6-dioxopiperidin-3-yl]phenyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2ccc([C@]3(F)CCC(=O)NC3=O)cc2)CC1
InChIInChI=1S/C21H27FN2O4/c1-20(2,3)28-19(27)24-12-9-15(10-13-24)14-4-6-16(7-5-14)21(22)11-8-17(25)23-18(21)26/h4-7,15H,8-13H2,1-3H3,(H,23,25,26)/t21-/m1/s1
InChIKeyGBUZVNKSROGPLE-OAQYLSRUSA-N
XLogP3.40
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 4-[4-(3-fluoro-2,6-dioxopiperidin-3-yl)phenyl]piperidine-1-carboxylate
CID 170737619
tert-butyl 4-[4-(3,5-dioxopiperazin-2-yl)phenyl]piperidine-1-carboxylate
CID 176912990
tert-butyl 4-(4-carbamothioylphenyl)piperidine-1-carboxylate
CID 172570363
tert-butyl 4-[3-[4-(2,6-dioxopiperidin-3-yl)phenyl]azetidin-1-yl]piperidine-1-carboxylate
CID 177362869
tert-butyl 4-[[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperidin-1-yl]methyl]piperidine-1-carboxylate
CID 170749549
tert-butyl 4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-1-carboxylate
CID 134413948
tert-butyl 4-(3-fluoro-2,7-dioxoazepan-3-yl)benzoate
CID 175638749
tert-butyl 4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]ethyl]piperidine-1-carboxylate
CID 172591640
tert-butyl 4-[4-(2-oxopropyl)phenyl]piperidine-1-carboxylate
CID 89449291
tert-butyl 4-[4-(4-methylphenoxy)phenyl]piperidine-1-carboxylate
CID 90737093
tert-butyl 4-(3-fluoro-4-hydroxyphenyl)piperidine-1-carboxylate
CID 135194075
tert-butyl 4-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]piperidine-1-carboxylate
CID 171098309

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-[(3R)-3-fluoro-2,6-dioxopiperidin-3-yl]phenyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[4-[(3R)-3-fluoro-2,6-dioxopiperidin-3-yl]phenyl]piperidine-1-carboxylate (CID 170737574) is tert-butyl 4-[4-[(3R)-3-fluoro-2,6-dioxopiperidin-3-yl]phenyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[4-[(3R)-3-fluoro-2,6-dioxopiperidin-3-yl]phenyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[4-[(3R)-3-fluoro-2,6-dioxopiperidin-3-yl]phenyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2ccc([C@]3(F)CCC(=O)NC3=O)cc2)CC1.
What is the InChIKey of tert-butyl 4-[4-[(3R)-3-fluoro-2,6-dioxopiperidin-3-yl]phenyl]piperidine-1-carboxylate?
The InChIKey is GBUZVNKSROGPLE-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H27FN2O4/c1-20(2,3)28-19(27)24-12-9-15(10-13-24)14-4-6-16(7-5-14)21(22)11-8-17(25)23-18(21)26/h4-7,15H,8-13H2,1-3H3,(H,23,25,26)/t21-/m1/s1.
What are the key properties of tert-butyl 4-[4-[(3R)-3-fluoro-2,6-dioxopiperidin-3-yl]phenyl]piperidine-1-carboxylate?
tert-butyl 4-[4-[(3R)-3-fluoro-2,6-dioxopiperidin-3-yl]phenyl]piperidine-1-carboxylate has a molecular weight of 390.46 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-[(3R)-3-fluoro-2,6-dioxopiperidin-3-yl]phenyl]piperidine-1-carboxylate is sourced from PubChem (CID 170737574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).