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

C20H18Cl3N3O2 — CID 1353414

IUPAC(3R)-3-[4-(4-chlorophenyl)piperazin-1-yl]-1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione
SMILESO=C1C[C@@H](N2CCN(c3ccc(Cl)cc3)CC2)C(=O)N1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C20H18Cl3N3O2/c21-13-1-3-16(4-2-13)24-5-7-25(8-6-24)18-12-19(27)26(20(18)28)17-10-14(22)9-15(23)11-17/h1-4,9-11,18H,5-8,12H2/t18-/m1/s1
InChIKeyQZFUVBQRVIYKQD-GOSISDBHSA-N
MW438.74 g/mol
LogP4.10
Rot. Bonds3

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

(3R)-3-[4-(4-chlorophenyl)piperazin-1-yl]-1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione (PubChem CID 1353414) has the molecular formula C20H18Cl3N3O2 and a molecular weight of 438.74 g/mol. Its IUPAC name is (3R)-3-[4-(4-chlorophenyl)piperazin-1-yl]-1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-[4-(4-chlorophenyl)piperazin-1-yl]-1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione
PubChem CID1353414
Molecular FormulaC20H18Cl3N3O2
Molecular Weight438.74 g/mol
Exact Mass437.05
IUPAC Name(3R)-3-[4-(4-chlorophenyl)piperazin-1-yl]-1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione
SMILESO=C1C[C@@H](N2CCN(c3ccc(Cl)cc3)CC2)C(=O)N1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C20H18Cl3N3O2/c21-13-1-3-16(4-2-13)24-5-7-25(8-6-24)18-12-19(27)26(20(18)28)17-10-14(22)9-15(23)11-17/h1-4,9-11,18H,5-8,12H2/t18-/m1/s1
InChIKeyQZFUVBQRVIYKQD-GOSISDBHSA-N
XLogP4.10
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.74
LogP ≤ 54.10
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

(3R)-1-(4-chlorophenyl)-3-[4-(4-chlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 1115587
(3R)-1-(3-chlorophenyl)-3-[4-(4-chlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 1087586
(3S)-1-(3,5-dichlorophenyl)-3-[4-(4-nitrophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 7083208
(3R)-3-[4-(4-chlorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 1098219
(3S)-1-(3,5-dichlorophenyl)-3-[4-(2-hydroxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 1261391
(3R)-3-[4-(4-chlorophenyl)piperazin-1-yl]-1-(2-fluorophenyl)pyrrolidine-2,5-dione
CID 1109081
3-[4-(4-chlorophenyl)piperazin-1-yl]-1-(2,4-dimethylphenyl)pyrrolidine-2,5-dione
CID 2852672
(3R)-1-(4-chlorophenyl)-3-[4-(3-methoxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 1261241
1-(4-chlorophenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolidine-2,5-dione
CID 2832597
(3S)-1-(3,5-dichlorophenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)pyrrolidine-2,5-dione
CID 1365161
(3S)-1-(3,5-dichlorophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 1369612
1-(3-chloro-4-fluorophenyl)-3-[4-(4-methylsulfonylphenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 5166097

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[4-(4-chlorophenyl)piperazin-1-yl]-1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-[4-(4-chlorophenyl)piperazin-1-yl]-1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione (CID 1353414) is (3R)-3-[4-(4-chlorophenyl)piperazin-1-yl]-1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-[4-(4-chlorophenyl)piperazin-1-yl]-1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-[4-(4-chlorophenyl)piperazin-1-yl]-1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione is O=C1C[C@@H](N2CCN(c3ccc(Cl)cc3)CC2)C(=O)N1c1cc(Cl)cc(Cl)c1.
What is the InChIKey of (3R)-3-[4-(4-chlorophenyl)piperazin-1-yl]-1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione?
The InChIKey is QZFUVBQRVIYKQD-GOSISDBHSA-N. The full InChI is InChI=1S/C20H18Cl3N3O2/c21-13-1-3-16(4-2-13)24-5-7-25(8-6-24)18-12-19(27)26(20(18)28)17-10-14(22)9-15(23)11-17/h1-4,9-11,18H,5-8,12H2/t18-/m1/s1.
What are the key properties of (3R)-3-[4-(4-chlorophenyl)piperazin-1-yl]-1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione?
(3R)-3-[4-(4-chlorophenyl)piperazin-1-yl]-1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione has a molecular weight of 438.74 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[4-(4-chlorophenyl)piperazin-1-yl]-1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 1353414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).