(3R)-3-(2-fluorophenyl)-1-methyl-3-[2-[4-[(4-methylphenyl)methyl]-3-oxopiperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione

C25H26FN3O4 — CID 26280139

IUPAC(3R)-3-(2-fluorophenyl)-1-methyl-3-[2-[4-[(4-methylphenyl)methyl]-3-oxopiperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
SMILESCc1ccc(CN2CCN(C(=O)C[C@]3(c4ccccc4F)CC(=O)N(C)C3=O)CC2=O)cc1
InChIInChI=1S/C25H26FN3O4/c1-17-7-9-18(10-8-17)15-28-11-12-29(16-23(28)32)22(31)14-25(13-21(30)27(2)24(25)33)19-5-3-4-6-20(19)26/h3-10H,11-16H2,1-2H3/t25-/m0/s1
InChIKeyYRLLAGFYYOEJSP-VWLOTQADSA-N
MW451.50 g/mol
LogP2.02
Rot. Bonds5

About (3R)-3-(2-fluorophenyl)-1-methyl-3-[2-[4-[(4-methylphenyl)methyl]-3-oxopiperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione

(3R)-3-(2-fluorophenyl)-1-methyl-3-[2-[4-[(4-methylphenyl)methyl]-3-oxopiperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione (PubChem CID 26280139) has the molecular formula C25H26FN3O4 and a molecular weight of 451.50 g/mol. Its IUPAC name is (3R)-3-(2-fluorophenyl)-1-methyl-3-[2-[4-[(4-methylphenyl)methyl]-3-oxopiperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-(2-fluorophenyl)-1-methyl-3-[2-[4-[(4-methylphenyl)methyl]-3-oxopiperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
PubChem CID26280139
Molecular FormulaC25H26FN3O4
Molecular Weight451.50 g/mol
Exact Mass451.19
IUPAC Name(3R)-3-(2-fluorophenyl)-1-methyl-3-[2-[4-[(4-methylphenyl)methyl]-3-oxopiperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
SMILESCc1ccc(CN2CCN(C(=O)C[C@]3(c4ccccc4F)CC(=O)N(C)C3=O)CC2=O)cc1
InChIInChI=1S/C25H26FN3O4/c1-17-7-9-18(10-8-17)15-28-11-12-29(16-23(28)32)22(31)14-25(13-21(30)27(2)24(25)33)19-5-3-4-6-20(19)26/h3-10H,11-16H2,1-2H3/t25-/m0/s1
InChIKeyYRLLAGFYYOEJSP-VWLOTQADSA-N
XLogP2.02
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.50
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-Benzhydrylpiperazin-1-yl)-2-oxoethyl]-3,3-bis(4-fluorophenyl)pyrrolidin-2-one
CID 45109879
1-(2-{4-[Bis(4-fluorophenyl)methyl]piperazin-1-yl}-2-oxoethyl)-3,3-diphenylpyrrolidin-2-one
CID 57393322
3,3-Bis(4-fluorophenyl)-1-(2-oxo-2-{4-[3-(trifluoromethyl)benzyl]piperazin-1-yl}ethyl)pyrrolidin-2-one
CID 57402039
1-(2-{4-[(4-Fluorophenyl)(phenyl)methyl]piperazin-1-yl}-2-oxoethyl)-3,3-diphenylpyrrolidin-2-one
CID 57402133
4-Cyclohexyl-1-cyclopentyl-3-(4-methylphenyl)piperazine-2,5-dione
CID 5195087
1-[(S)-3-(Pyrrolidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-(4-trifluoromethyl-phenyl)-ethanone
CID 44358125
(3R,5S)-5-[4-(2-fluorophenyl)phenyl]-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one
CID 44565208
1-(2-Oxo-2-{4-[3-(trifluoromethyl)benzyl]piperazin-1-yl}ethyl)-3,3-diphenylpyrrolidin-2-one
CID 45274309
1-(2-Oxo-2-{4-[4-(trifluoromethyl)benzyl]piperazin-1-yl}ethyl)-3,3-diphenylpiperidin-2-one
CID 45275281
1-{2-[4-(4-Fluorobenzyl)piperazin-1-yl]-2-oxoethyl}-3,3-diphenylpyrrolidin-2-one
CID 57403781
(2S,4R)-1-[2-[(3S)-1-acetylpiperidin-3-yl]acetyl]-4-fluoro-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 165138348
(2S,4R)-1-(6-acetyl-6-azaspiro[2.5]octane-2-carbonyl)-4-fluoro-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 165139026

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-fluorophenyl)-1-methyl-3-[2-[4-[(4-methylphenyl)methyl]-3-oxopiperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-(2-fluorophenyl)-1-methyl-3-[2-[4-[(4-methylphenyl)methyl]-3-oxopiperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione (CID 26280139) is (3R)-3-(2-fluorophenyl)-1-methyl-3-[2-[4-[(4-methylphenyl)methyl]-3-oxopiperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-(2-fluorophenyl)-1-methyl-3-[2-[4-[(4-methylphenyl)methyl]-3-oxopiperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-(2-fluorophenyl)-1-methyl-3-[2-[4-[(4-methylphenyl)methyl]-3-oxopiperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione is Cc1ccc(CN2CCN(C(=O)C[C@]3(c4ccccc4F)CC(=O)N(C)C3=O)CC2=O)cc1.
What is the InChIKey of (3R)-3-(2-fluorophenyl)-1-methyl-3-[2-[4-[(4-methylphenyl)methyl]-3-oxopiperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
The InChIKey is YRLLAGFYYOEJSP-VWLOTQADSA-N. The full InChI is InChI=1S/C25H26FN3O4/c1-17-7-9-18(10-8-17)15-28-11-12-29(16-23(28)32)22(31)14-25(13-21(30)27(2)24(25)33)19-5-3-4-6-20(19)26/h3-10H,11-16H2,1-2H3/t25-/m0/s1.
What are the key properties of (3R)-3-(2-fluorophenyl)-1-methyl-3-[2-[4-[(4-methylphenyl)methyl]-3-oxopiperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
(3R)-3-(2-fluorophenyl)-1-methyl-3-[2-[4-[(4-methylphenyl)methyl]-3-oxopiperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione has a molecular weight of 451.50 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-fluorophenyl)-1-methyl-3-[2-[4-[(4-methylphenyl)methyl]-3-oxopiperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 26280139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).