3-[4-[(4R)-4-amino-2-oxopyrrolidin-1-yl]-2,6-difluorophenyl]piperidine-2,6-dione

C15H15F2N3O3 — CID 171541033

IUPAC3-[4-[(4R)-4-amino-2-oxopyrrolidin-1-yl]-2,6-difluorophenyl]piperidine-2,6-dione
SMILESN[C@@H]1CC(=O)N(c2cc(F)c(C3CCC(=O)NC3=O)c(F)c2)C1
InChIInChI=1S/C15H15F2N3O3/c16-10-4-8(20-6-7(18)3-13(20)22)5-11(17)14(10)9-1-2-12(21)19-15(9)23/h4-5,7,9H,1-3,6,18H2,(H,19,21,23)/t7-,9?/m1/s1
InChIKeyLZRANQRRCCUHGI-YOXFSPIKSA-N
MW323.30 g/mol
LogP0.55
Rot. Bonds2

About 3-[4-[(4R)-4-amino-2-oxopyrrolidin-1-yl]-2,6-difluorophenyl]piperidine-2,6-dione

3-[4-[(4R)-4-amino-2-oxopyrrolidin-1-yl]-2,6-difluorophenyl]piperidine-2,6-dione (PubChem CID 171541033) has the molecular formula C15H15F2N3O3 and a molecular weight of 323.30 g/mol. Its IUPAC name is 3-[4-[(4R)-4-amino-2-oxopyrrolidin-1-yl]-2,6-difluorophenyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[4-[(4R)-4-amino-2-oxopyrrolidin-1-yl]-2,6-difluorophenyl]piperidine-2,6-dione
PubChem CID171541033
Molecular FormulaC15H15F2N3O3
Molecular Weight323.30 g/mol
Exact Mass323.11
IUPAC Name3-[4-[(4R)-4-amino-2-oxopyrrolidin-1-yl]-2,6-difluorophenyl]piperidine-2,6-dione
SMILESN[C@@H]1CC(=O)N(c2cc(F)c(C3CCC(=O)NC3=O)c(F)c2)C1
InChIInChI=1S/C15H15F2N3O3/c16-10-4-8(20-6-7(18)3-13(20)22)5-11(17)14(10)9-1-2-12(21)19-15(9)23/h4-5,7,9H,1-3,6,18H2,(H,19,21,23)/t7-,9?/m1/s1
InChIKeyLZRANQRRCCUHGI-YOXFSPIKSA-N
XLogP0.55
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.30
LogP ≤ 50.55
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-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
2-[1-[4-(2,6-dioxopiperidin-3-yl)-3,5-difluorophenyl]piperidin-4-yl]acetaldehyde
CID 166947439
4-amino-1-(3,4-difluorophenyl)pyrrolidin-2-one
CID 43521146
3-[4-[3-[tert-butyl(dimethyl)silyl]oxyazetidin-1-yl]-2,6-difluorophenyl]piperidine-2,6-dione
CID 172616861
butane;3-(2,6-difluoro-4-methylphenyl)piperidine-2,6-dione
CID 172617426
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
[1-[4-[(3S)-2,6-dioxopiperidin-3-yl]-3,5-difluorophenyl]azetidin-3-yl] N-cyclopropylcarbamate
CID 170155051
3-[2,6-difluoro-4-[(3S,4S)-3-fluoro-4-piperazin-1-ylpiperidin-1-yl]phenyl]piperidine-2,6-dione
CID 170185699
3-[4-(2-cyclohexylethyl)-2,6-difluorophenyl]piperidine-2,6-dione
CID 170129880
ethyl 4-[[1-[4-(2,6-dioxopiperidin-3-yl)-3,5-difluorophenyl]piperidin-4-yl]methyl]piperidine-1-carboxylate
CID 178161184

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(4R)-4-amino-2-oxopyrrolidin-1-yl]-2,6-difluorophenyl]piperidine-2,6-dione?
The IUPAC name of 3-[4-[(4R)-4-amino-2-oxopyrrolidin-1-yl]-2,6-difluorophenyl]piperidine-2,6-dione (CID 171541033) is 3-[4-[(4R)-4-amino-2-oxopyrrolidin-1-yl]-2,6-difluorophenyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[4-[(4R)-4-amino-2-oxopyrrolidin-1-yl]-2,6-difluorophenyl]piperidine-2,6-dione?
The canonical SMILES for 3-[4-[(4R)-4-amino-2-oxopyrrolidin-1-yl]-2,6-difluorophenyl]piperidine-2,6-dione is N[C@@H]1CC(=O)N(c2cc(F)c(C3CCC(=O)NC3=O)c(F)c2)C1.
What is the InChIKey of 3-[4-[(4R)-4-amino-2-oxopyrrolidin-1-yl]-2,6-difluorophenyl]piperidine-2,6-dione?
The InChIKey is LZRANQRRCCUHGI-YOXFSPIKSA-N. The full InChI is InChI=1S/C15H15F2N3O3/c16-10-4-8(20-6-7(18)3-13(20)22)5-11(17)14(10)9-1-2-12(21)19-15(9)23/h4-5,7,9H,1-3,6,18H2,(H,19,21,23)/t7-,9?/m1/s1.
What are the key properties of 3-[4-[(4R)-4-amino-2-oxopyrrolidin-1-yl]-2,6-difluorophenyl]piperidine-2,6-dione?
3-[4-[(4R)-4-amino-2-oxopyrrolidin-1-yl]-2,6-difluorophenyl]piperidine-2,6-dione has a molecular weight of 323.30 g/mol, XLogP of 0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(4R)-4-amino-2-oxopyrrolidin-1-yl]-2,6-difluorophenyl]piperidine-2,6-dione is sourced from PubChem (CID 171541033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).