3-[4-(3-aminoazetidin-1-yl)-2-fluoro-6-methylphenyl]piperidine-2,6-dione

C15H18FN3O2 — CID 171541260

IUPAC3-[4-(3-aminoazetidin-1-yl)-2-fluoro-6-methylphenyl]piperidine-2,6-dione
SMILESCc1cc(N2CC(N)C2)cc(F)c1C1CCC(=O)NC1=O
InChIInChI=1S/C15H18FN3O2/c1-8-4-10(19-6-9(17)7-19)5-12(16)14(8)11-2-3-13(20)18-15(11)21/h4-5,9,11H,2-3,6-7,17H2,1H3,(H,18,20,21)
InChIKeySUPWGRIBMPQUOD-UHFFFAOYSA-N
MW291.33 g/mol
LogP0.80
Rot. Bonds2

About 3-[4-(3-aminoazetidin-1-yl)-2-fluoro-6-methylphenyl]piperidine-2,6-dione

3-[4-(3-aminoazetidin-1-yl)-2-fluoro-6-methylphenyl]piperidine-2,6-dione (PubChem CID 171541260) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is 3-[4-(3-aminoazetidin-1-yl)-2-fluoro-6-methylphenyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[4-(3-aminoazetidin-1-yl)-2-fluoro-6-methylphenyl]piperidine-2,6-dione
PubChem CID171541260
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC Name3-[4-(3-aminoazetidin-1-yl)-2-fluoro-6-methylphenyl]piperidine-2,6-dione
SMILESCc1cc(N2CC(N)C2)cc(F)c1C1CCC(=O)NC1=O
InChIInChI=1S/C15H18FN3O2/c1-8-4-10(19-6-9(17)7-19)5-12(16)14(8)11-2-3-13(20)18-15(11)21/h4-5,9,11H,2-3,6-7,17H2,1H3,(H,18,20,21)
InChIKeySUPWGRIBMPQUOD-UHFFFAOYSA-N
XLogP0.80
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(3-aminoazetidin-1-yl)-2,6-dichlorophenyl]piperidine-2,6-dione
CID 171541166
3-(2-fluoro-4,6-dimethylphenyl)piperidine-2,6-dione
CID 170979047
3-[4-[(4R)-4-amino-2-oxopyrrolidin-1-yl]-2,6-difluorophenyl]piperidine-2,6-dione
CID 171541033
1-(3,5-dimethylphenyl)-3-[1-[4-[(3R)-2,6-dioxopiperidin-3-yl]-3,5-difluorophenyl]azetidin-3-yl]urea
CID 170155759
3-[4-[3-[tert-butyl(dimethyl)silyl]oxyazetidin-1-yl]-2,6-difluorophenyl]piperidine-2,6-dione
CID 172616861
1-[4-[(3S)-2,6-dioxopiperidin-3-yl]-3,5-difluorophenyl]pyrrolidine-3-carboxylic acid
CID 170107094
2-[1-[4-(2,6-dioxopiperidin-3-yl)-3,5-difluorophenyl]piperidin-4-yl]acetaldehyde
CID 166947439
ethyl 4-[[1-[4-(2,6-dioxopiperidin-3-yl)-3,5-difluorophenyl]piperidin-4-yl]methyl]piperidine-1-carboxylate
CID 178161184
[1-[4-[(3S)-2,6-dioxopiperidin-3-yl]-3,5-difluorophenyl]azetidin-3-yl] N-cyclopropylcarbamate
CID 170155051
butane;3-(2,6-difluoro-4-methylphenyl)piperidine-2,6-dione
CID 172617426
piperidin-1-ylmethyl N-[1-[4-(2,6-dioxopiperidin-3-yl)-3,5-difluorophenyl]azetidin-3-yl]carbamate
CID 176869474
[1-[4-(2,6-dioxopiperidin-3-yl)-3,5-difluorophenyl]azetidin-3-yl]-(2-methylsulfanylethyl)carbamic acid
CID 170173051

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-aminoazetidin-1-yl)-2-fluoro-6-methylphenyl]piperidine-2,6-dione?
The IUPAC name of 3-[4-(3-aminoazetidin-1-yl)-2-fluoro-6-methylphenyl]piperidine-2,6-dione (CID 171541260) is 3-[4-(3-aminoazetidin-1-yl)-2-fluoro-6-methylphenyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[4-(3-aminoazetidin-1-yl)-2-fluoro-6-methylphenyl]piperidine-2,6-dione?
The canonical SMILES for 3-[4-(3-aminoazetidin-1-yl)-2-fluoro-6-methylphenyl]piperidine-2,6-dione is Cc1cc(N2CC(N)C2)cc(F)c1C1CCC(=O)NC1=O.
What is the InChIKey of 3-[4-(3-aminoazetidin-1-yl)-2-fluoro-6-methylphenyl]piperidine-2,6-dione?
The InChIKey is SUPWGRIBMPQUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2/c1-8-4-10(19-6-9(17)7-19)5-12(16)14(8)11-2-3-13(20)18-15(11)21/h4-5,9,11H,2-3,6-7,17H2,1H3,(H,18,20,21).
What are the key properties of 3-[4-(3-aminoazetidin-1-yl)-2-fluoro-6-methylphenyl]piperidine-2,6-dione?
3-[4-(3-aminoazetidin-1-yl)-2-fluoro-6-methylphenyl]piperidine-2,6-dione has a molecular weight of 291.33 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-aminoazetidin-1-yl)-2-fluoro-6-methylphenyl]piperidine-2,6-dione is sourced from PubChem (CID 171541260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).