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

C21H20Cl3N3O2 — CID 1261342

IUPAC(3R)-1-(3-chlorophenyl)-3-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]pyrrolidine-2,5-dione
SMILESO=C1C[C@@H](N2CCN(Cc3ccc(Cl)cc3Cl)CC2)C(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C21H20Cl3N3O2/c22-15-2-1-3-17(10-15)27-20(28)12-19(21(27)29)26-8-6-25(7-9-26)13-14-4-5-16(23)11-18(14)24/h1-5,10-11,19H,6-9,12-13H2/t19-/m1/s1
InChIKeyPYKVSSWOKAOBGC-LJQANCHMSA-N
MW452.77 g/mol
LogP4.10
Rot. Bonds4

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

(3R)-1-(3-chlorophenyl)-3-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]pyrrolidine-2,5-dione (PubChem CID 1261342) has the molecular formula C21H20Cl3N3O2 and a molecular weight of 452.77 g/mol. Its IUPAC name is (3R)-1-(3-chlorophenyl)-3-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-(3-chlorophenyl)-3-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]pyrrolidine-2,5-dione
PubChem CID1261342
Molecular FormulaC21H20Cl3N3O2
Molecular Weight452.77 g/mol
Exact Mass451.06
IUPAC Name(3R)-1-(3-chlorophenyl)-3-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]pyrrolidine-2,5-dione
SMILESO=C1C[C@@H](N2CCN(Cc3ccc(Cl)cc3Cl)CC2)C(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C21H20Cl3N3O2/c22-15-2-1-3-17(10-15)27-20(28)12-19(21(27)29)26-8-6-25(7-9-26)13-14-4-5-16(23)11-18(14)24/h1-5,10-11,19H,6-9,12-13H2/t19-/m1/s1
InChIKeyPYKVSSWOKAOBGC-LJQANCHMSA-N
XLogP4.10
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.77
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-(3-chlorophenyl)-3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 1255850
1-(3-chlorophenyl)-3-[4-[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 3091910
(3S)-1-(3-chlorophenyl)-3-[4-[(3-methylphenyl)methyl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 9357816
(3S)-1-(3-chlorophenyl)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione
CID 793181
(3R)-1-(3-chlorophenyl)-3-[4-(4-chlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 1087586
1-(3-chlorophenyl)-3-piperidin-1-ylpyrrolidine-2,5-dione
CID 2827716
(3R)-3-(4-benzylpiperazin-1-yl)-1-(2,4-dichlorophenyl)pyrrolidine-2,5-dione
CID 93235132
1-(3-chlorophenyl)-3-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 2949652
3-(4-benzylpiperazin-1-yl)-1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione
CID 3109148
(3R)-3-(4-benzylpiperazin-1-yl)-1-(3-methylphenyl)pyrrolidine-2,5-dione
CID 1115575
(3S)-1-(4-chlorophenyl)-3-[4-[(3-methylphenyl)methyl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 9357851
1-(3-chlorophenyl)-3-[4-(2-hydroxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 3406382

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-chlorophenyl)-3-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]pyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-(3-chlorophenyl)-3-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]pyrrolidine-2,5-dione (CID 1261342) is (3R)-1-(3-chlorophenyl)-3-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-(3-chlorophenyl)-3-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-(3-chlorophenyl)-3-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]pyrrolidine-2,5-dione is O=C1C[C@@H](N2CCN(Cc3ccc(Cl)cc3Cl)CC2)C(=O)N1c1cccc(Cl)c1.
What is the InChIKey of (3R)-1-(3-chlorophenyl)-3-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]pyrrolidine-2,5-dione?
The InChIKey is PYKVSSWOKAOBGC-LJQANCHMSA-N. The full InChI is InChI=1S/C21H20Cl3N3O2/c22-15-2-1-3-17(10-15)27-20(28)12-19(21(27)29)26-8-6-25(7-9-26)13-14-4-5-16(23)11-18(14)24/h1-5,10-11,19H,6-9,12-13H2/t19-/m1/s1.
What are the key properties of (3R)-1-(3-chlorophenyl)-3-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]pyrrolidine-2,5-dione?
(3R)-1-(3-chlorophenyl)-3-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]pyrrolidine-2,5-dione has a molecular weight of 452.77 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-chlorophenyl)-3-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 1261342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).