(3R)-1-(3-acetylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione

C22H22FN3O3 — CID 2243401

IUPAC(3R)-1-(3-acetylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
SMILESCC(=O)c1cccc(N2C(=O)C[C@@H](N3CCN(c4ccccc4F)CC3)C2=O)c1
InChIInChI=1S/C22H22FN3O3/c1-15(27)16-5-4-6-17(13-16)26-21(28)14-20(22(26)29)25-11-9-24(10-12-25)19-8-3-2-7-18(19)23/h2-8,13,20H,9-12,14H2,1H3/t20-/m1/s1
InChIKeyWXAOWWAHBXDKQB-HXUWFJFHSA-N
MW395.43 g/mol
LogP2.48
Rot. Bonds4

About (3R)-1-(3-acetylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione

(3R)-1-(3-acetylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione (PubChem CID 2243401) has the molecular formula C22H22FN3O3 and a molecular weight of 395.43 g/mol. Its IUPAC name is (3R)-1-(3-acetylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-(3-acetylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
PubChem CID2243401
Molecular FormulaC22H22FN3O3
Molecular Weight395.43 g/mol
Exact Mass395.16
IUPAC Name(3R)-1-(3-acetylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
SMILESCC(=O)c1cccc(N2C(=O)C[C@@H](N3CCN(c4ccccc4F)CC3)C2=O)c1
InChIInChI=1S/C22H22FN3O3/c1-15(27)16-5-4-6-17(13-16)26-21(28)14-20(22(26)29)25-11-9-24(10-12-25)19-8-3-2-7-18(19)23/h2-8,13,20H,9-12,14H2,1H3/t20-/m1/s1
InChIKeyWXAOWWAHBXDKQB-HXUWFJFHSA-N
XLogP2.48
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-[4-(2-fluorophenyl)piperazin-1-yl]-1-(3-methylphenyl)pyrrolidine-2,5-dione
CID 1130382
(3S)-3-[4-(2-fluorophenyl)piperazin-1-yl]-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 51859533
(3R)-3-[4-(2-fluorophenyl)piperazin-1-yl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
CID 1213267
(3R)-3-[4-(2-fluorophenyl)piperazin-1-yl]-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 1022289
ethyl 4-[(3S)-3-[4-(2-fluorophenyl)piperazin-1-yl]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 1388973
1-(3-chlorophenyl)-3-[4-(2-hydroxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 3406382
(3S)-3-[4-(4-acetylphenyl)piperazin-1-yl]-1-(2,3-dimethylphenyl)pyrrolidine-2,5-dione
CID 99935783
(3R)-3-[4-(4-acetylphenyl)piperazin-1-yl]-1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione
CID 99935790
(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(3-methylphenyl)pyrrolidine-2,5-dione
CID 1213323
(3R)-3-[4-(4-chlorophenyl)piperazin-1-yl]-1-(2-fluorophenyl)pyrrolidine-2,5-dione
CID 1109081
(3S)-3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1-(2-fluorophenyl)pyrrolidine-2,5-dione
CID 1291643
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-[3-[4-(2-fluorophenyl)piperazin-1-yl]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 21170739

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-acetylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-(3-acetylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione (CID 2243401) is (3R)-1-(3-acetylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-(3-acetylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-(3-acetylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione is CC(=O)c1cccc(N2C(=O)C[C@@H](N3CCN(c4ccccc4F)CC3)C2=O)c1.
What is the InChIKey of (3R)-1-(3-acetylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione?
The InChIKey is WXAOWWAHBXDKQB-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H22FN3O3/c1-15(27)16-5-4-6-17(13-16)26-21(28)14-20(22(26)29)25-11-9-24(10-12-25)19-8-3-2-7-18(19)23/h2-8,13,20H,9-12,14H2,1H3/t20-/m1/s1.
What are the key properties of (3R)-1-(3-acetylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione?
(3R)-1-(3-acetylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione has a molecular weight of 395.43 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-acetylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 2243401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).