(3R)-1-(3,4-difluorophenyl)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyrrolidine-2,5-dione

C17H20F2N2O2 — CID 29101458

IUPAC(3R)-1-(3,4-difluorophenyl)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyrrolidine-2,5-dione
SMILESC[C@@H]1C[C@@H](C)CN([C@@H]2CC(=O)N(c3ccc(F)c(F)c3)C2=O)C1
InChIInChI=1S/C17H20F2N2O2/c1-10-5-11(2)9-20(8-10)15-7-16(22)21(17(15)23)12-3-4-13(18)14(19)6-12/h3-4,6,10-11,15H,5,7-9H2,1-2H3/t10-,11-,15-/m1/s1
InChIKeyKCXFBPJKYGOGIF-UEKVPHQBSA-N
MW322.36 g/mol
LogP2.57
Rot. Bonds2

About (3R)-1-(3,4-difluorophenyl)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyrrolidine-2,5-dione

(3R)-1-(3,4-difluorophenyl)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyrrolidine-2,5-dione (PubChem CID 29101458) has the molecular formula C17H20F2N2O2 and a molecular weight of 322.36 g/mol. Its IUPAC name is (3R)-1-(3,4-difluorophenyl)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-(3,4-difluorophenyl)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyrrolidine-2,5-dione
PubChem CID29101458
Molecular FormulaC17H20F2N2O2
Molecular Weight322.36 g/mol
Exact Mass322.15
IUPAC Name(3R)-1-(3,4-difluorophenyl)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyrrolidine-2,5-dione
SMILESC[C@@H]1C[C@@H](C)CN([C@@H]2CC(=O)N(c3ccc(F)c(F)c3)C2=O)C1
InChIInChI=1S/C17H20F2N2O2/c1-10-5-11(2)9-20(8-10)15-7-16(22)21(17(15)23)12-3-4-13(18)14(19)6-12/h3-4,6,10-11,15H,5,7-9H2,1-2H3/t10-,11-,15-/m1/s1
InChIKeyKCXFBPJKYGOGIF-UEKVPHQBSA-N
XLogP2.57
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3R)-1-(3,4-difluorophenyl)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-1-(3,4-difluorophenyl)-3-[(3S)-3-methylpiperidin-1-yl]pyrrolidine-2,5-dione
CID 29158100
(3S)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-1-phenylpyrrolidine-2,5-dione
CID 124717691
1-(3,4-difluorophenyl)-3-(4-ethylpiperazin-1-yl)pyrrolidine-2,5-dione
CID 17228704
4-[(3S)-1-(3,4-difluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperazine-1-carbaldehyde
CID 98292764
3-(3-methylpiperidin-1-yl)-1-[4-[3-(3-methylpiperidin-1-yl)-2,5-dioxopyrrolidin-1-yl]phenyl]pyrrolidine-2,5-dione
CID 4144237
(3S)-3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyrrolidine-2,5-dione
CID 1230638
ethyl 1-[1-(3,4-difluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate
CID 17035917
3-(2,6-dimethylmorpholin-4-yl)-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 3139865
(3S)-1-(4-bromophenyl)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrrolidine-2,5-dione
CID 8008090
(3R)-1-(4-bromophenyl)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrrolidine-2,5-dione
CID 7784115
(3S)-1-(3,4-difluorophenyl)-3-(4-methylphenyl)sulfanylpyrrolidine-2,5-dione
CID 29101479
[2-(2-chlorophenyl)-2-oxoethyl] 4-[3-(3,5-dimethylpiperidin-1-yl)-2,5-dioxopyrrolidin-1-yl]benzoate
CID 23098216

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3,4-difluorophenyl)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-(3,4-difluorophenyl)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyrrolidine-2,5-dione (CID 29101458) is (3R)-1-(3,4-difluorophenyl)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-(3,4-difluorophenyl)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-(3,4-difluorophenyl)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyrrolidine-2,5-dione is C[C@@H]1C[C@@H](C)CN([C@@H]2CC(=O)N(c3ccc(F)c(F)c3)C2=O)C1.
What is the InChIKey of (3R)-1-(3,4-difluorophenyl)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyrrolidine-2,5-dione?
The InChIKey is KCXFBPJKYGOGIF-UEKVPHQBSA-N. The full InChI is InChI=1S/C17H20F2N2O2/c1-10-5-11(2)9-20(8-10)15-7-16(22)21(17(15)23)12-3-4-13(18)14(19)6-12/h3-4,6,10-11,15H,5,7-9H2,1-2H3/t10-,11-,15-/m1/s1.
What are the key properties of (3R)-1-(3,4-difluorophenyl)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyrrolidine-2,5-dione?
(3R)-1-(3,4-difluorophenyl)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyrrolidine-2,5-dione has a molecular weight of 322.36 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3,4-difluorophenyl)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 29101458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).