[1-[1-[4-(2,6-dioxopiperidin-3-yl)-3,5-difluorophenyl]azetidin-3-yl]-3-phenylcyclobutyl] carbamate

C25H25F2N3O4 — CID 175893655

IUPAC[1-[1-[4-(2,6-dioxopiperidin-3-yl)-3,5-difluorophenyl]azetidin-3-yl]-3-phenylcyclobutyl] carbamate
SMILESNC(=O)OC1(C2CN(c3cc(F)c(C4CCC(=O)NC4=O)c(F)c3)C2)CC(c2ccccc2)C1
InChIInChI=1S/C25H25F2N3O4/c26-19-8-17(9-20(27)22(19)18-6-7-21(31)29-23(18)32)30-12-16(13-30)25(34-24(28)33)10-15(11-25)14-4-2-1-3-5-14/h1-5,8-9,15-16,18H,6-7,10-13H2,(H2,28,33)(H,29,31,32)
InChIKeyUJGBVKICHJPUPY-UHFFFAOYSA-N
MW469.49 g/mol
LogP3.33
Rot. Bonds5

About [1-[1-[4-(2,6-dioxopiperidin-3-yl)-3,5-difluorophenyl]azetidin-3-yl]-3-phenylcyclobutyl] carbamate

[1-[1-[4-(2,6-dioxopiperidin-3-yl)-3,5-difluorophenyl]azetidin-3-yl]-3-phenylcyclobutyl] carbamate (PubChem CID 175893655) has the molecular formula C25H25F2N3O4 and a molecular weight of 469.49 g/mol. Its IUPAC name is [1-[1-[4-(2,6-dioxopiperidin-3-yl)-3,5-difluorophenyl]azetidin-3-yl]-3-phenylcyclobutyl] carbamate.

Molecular Properties

Compound Name[1-[1-[4-(2,6-dioxopiperidin-3-yl)-3,5-difluorophenyl]azetidin-3-yl]-3-phenylcyclobutyl] carbamate
PubChem CID175893655
Molecular FormulaC25H25F2N3O4
Molecular Weight469.49 g/mol
Exact Mass469.18
IUPAC Name[1-[1-[4-(2,6-dioxopiperidin-3-yl)-3,5-difluorophenyl]azetidin-3-yl]-3-phenylcyclobutyl] carbamate
SMILESNC(=O)OC1(C2CN(c3cc(F)c(C4CCC(=O)NC4=O)c(F)c3)C2)CC(c2ccccc2)C1
InChIInChI=1S/C25H25F2N3O4/c26-19-8-17(9-20(27)22(19)18-6-7-21(31)29-23(18)32)30-12-16(13-30)25(34-24(28)33)10-15(11-25)14-4-2-1-3-5-14/h1-5,8-9,15-16,18H,6-7,10-13H2,(H2,28,33)(H,29,31,32)
InChIKeyUJGBVKICHJPUPY-UHFFFAOYSA-N
XLogP3.33
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.49
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[(3S)-2,6-dioxopiperidin-3-yl]-3,5-difluorophenyl]pyrrolidine-3-carboxylic acid
CID 170107094
[1-[4-[(3S)-2,6-dioxopiperidin-3-yl]-3,5-difluorophenyl]azetidin-3-yl] N-cyclopropylcarbamate
CID 170155051
[3-chloro-5-cyano-2-[1-[4-(2,6-dioxopiperidin-3-yl)-3,5-difluorophenyl]azetidin-3-yl]-4-methylphenyl] carbamate
CID 170170913
3-[4-[3-[tert-butyl(dimethyl)silyl]oxyazetidin-1-yl]-2,6-difluorophenyl]piperidine-2,6-dione
CID 172616861
3-[4-(3-aminoazetidin-1-yl)-2-fluoro-6-methylphenyl]piperidine-2,6-dione
CID 171541260
[3-(difluoromethyl)-1-bicyclo[1.1.1]pentanyl]-[1-[4-(2,6-dioxopiperidin-3-yl)-3,5-difluorophenyl]azetidin-3-yl]carbamic acid
CID 175893552
piperidin-1-ylmethyl N-[1-[4-(2,6-dioxopiperidin-3-yl)-3,5-difluorophenyl]azetidin-3-yl]carbamate
CID 176869474
3-[4-[3-[(5-benzyl-1,3,4-oxadiazol-2-yl)amino]azetidin-1-yl]-2,6-difluorophenyl]piperidine-2,6-dione
CID 171541355
[1-[4-(2,6-dioxopiperidin-3-yl)-3,5-difluorophenyl]azetidin-3-yl]-(2-methylsulfanylethyl)carbamic acid
CID 170173051
2-methylpentyl N-[1-[4-(2,6-dioxopiperidin-3-yl)-3,5-difluorophenyl]azetidin-3-yl]carbamate
CID 171541076
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

Frequently Asked Questions

What is the IUPAC name of [1-[1-[4-(2,6-dioxopiperidin-3-yl)-3,5-difluorophenyl]azetidin-3-yl]-3-phenylcyclobutyl] carbamate?
The IUPAC name of [1-[1-[4-(2,6-dioxopiperidin-3-yl)-3,5-difluorophenyl]azetidin-3-yl]-3-phenylcyclobutyl] carbamate (CID 175893655) is [1-[1-[4-(2,6-dioxopiperidin-3-yl)-3,5-difluorophenyl]azetidin-3-yl]-3-phenylcyclobutyl] carbamate.
What is the SMILES notation for [1-[1-[4-(2,6-dioxopiperidin-3-yl)-3,5-difluorophenyl]azetidin-3-yl]-3-phenylcyclobutyl] carbamate?
The canonical SMILES for [1-[1-[4-(2,6-dioxopiperidin-3-yl)-3,5-difluorophenyl]azetidin-3-yl]-3-phenylcyclobutyl] carbamate is NC(=O)OC1(C2CN(c3cc(F)c(C4CCC(=O)NC4=O)c(F)c3)C2)CC(c2ccccc2)C1.
What is the InChIKey of [1-[1-[4-(2,6-dioxopiperidin-3-yl)-3,5-difluorophenyl]azetidin-3-yl]-3-phenylcyclobutyl] carbamate?
The InChIKey is UJGBVKICHJPUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2N3O4/c26-19-8-17(9-20(27)22(19)18-6-7-21(31)29-23(18)32)30-12-16(13-30)25(34-24(28)33)10-15(11-25)14-4-2-1-3-5-14/h1-5,8-9,15-16,18H,6-7,10-13H2,(H2,28,33)(H,29,31,32).
What are the key properties of [1-[1-[4-(2,6-dioxopiperidin-3-yl)-3,5-difluorophenyl]azetidin-3-yl]-3-phenylcyclobutyl] carbamate?
[1-[1-[4-(2,6-dioxopiperidin-3-yl)-3,5-difluorophenyl]azetidin-3-yl]-3-phenylcyclobutyl] carbamate has a molecular weight of 469.49 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-[4-(2,6-dioxopiperidin-3-yl)-3,5-difluorophenyl]azetidin-3-yl]-3-phenylcyclobutyl] carbamate is sourced from PubChem (CID 175893655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).