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

C21H22ClN3O2 — CID 2689096

IUPAC(3R)-1-benzyl-3-[4-(3-chlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
SMILESO=C1C[C@@H](N2CCN(c3cccc(Cl)c3)CC2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C21H22ClN3O2/c22-17-7-4-8-18(13-17)23-9-11-24(12-10-23)19-14-20(26)25(21(19)27)15-16-5-2-1-3-6-16/h1-8,13,19H,9-12,14-15H2/t19-/m1/s1
InChIKeyKBDYYSFSCHJJDL-LJQANCHMSA-N
MW383.88 g/mol
LogP2.79
Rot. Bonds4

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

(3R)-1-benzyl-3-[4-(3-chlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione (PubChem CID 2689096) has the molecular formula C21H22ClN3O2 and a molecular weight of 383.88 g/mol. Its IUPAC name is (3R)-1-benzyl-3-[4-(3-chlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-benzyl-3-[4-(3-chlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
PubChem CID2689096
Molecular FormulaC21H22ClN3O2
Molecular Weight383.88 g/mol
Exact Mass383.14
IUPAC Name(3R)-1-benzyl-3-[4-(3-chlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
SMILESO=C1C[C@@H](N2CCN(c3cccc(Cl)c3)CC2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C21H22ClN3O2/c22-17-7-4-8-18(13-17)23-9-11-24(12-10-23)19-14-20(26)25(21(19)27)15-16-5-2-1-3-6-16/h1-8,13,19H,9-12,14-15H2/t19-/m1/s1
InChIKeyKBDYYSFSCHJJDL-LJQANCHMSA-N
XLogP2.79
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 52.79
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

(3S)-1-benzyl-3-[4-[(3S)-1-benzyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 51620013
1-benzyl-3-[4-(4-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 2988908
(3S)-1-[(4-chlorophenyl)methyl]-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 41270703
1-benzyl-3-[4-(2-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 18078344
1-[(4-chlorophenyl)methyl]-3-[4-(2-chlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 17391217
(3R)-1-(3-chlorophenyl)-3-[4-(4-chlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 1087586
(3S)-3-[4-(3-chlorophenyl)piperazin-1-yl]-1-(4-iodophenyl)pyrrolidine-2,5-dione
CID 1288254
1-(3-chlorophenyl)-3-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 2949652
(3S)-1-(4-bromophenyl)-3-[4-(3-chlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 1041111
1-(3-chlorophenyl)-3-[4-[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 3091910
(3R)-1-benzyl-3-(3-chlorophenyl)pyrrolidine-2,5-dione
CID 53474672
1-[(4-chlorophenyl)methyl]-3-piperidin-1-ylpyrrolidine-2,5-dione
CID 155114949

Frequently Asked Questions

What is the IUPAC name of (3R)-1-benzyl-3-[4-(3-chlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-benzyl-3-[4-(3-chlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione (CID 2689096) is (3R)-1-benzyl-3-[4-(3-chlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-benzyl-3-[4-(3-chlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-benzyl-3-[4-(3-chlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione is O=C1C[C@@H](N2CCN(c3cccc(Cl)c3)CC2)C(=O)N1Cc1ccccc1.
What is the InChIKey of (3R)-1-benzyl-3-[4-(3-chlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione?
The InChIKey is KBDYYSFSCHJJDL-LJQANCHMSA-N. The full InChI is InChI=1S/C21H22ClN3O2/c22-17-7-4-8-18(13-17)23-9-11-24(12-10-23)19-14-20(26)25(21(19)27)15-16-5-2-1-3-6-16/h1-8,13,19H,9-12,14-15H2/t19-/m1/s1.
What are the key properties of (3R)-1-benzyl-3-[4-(3-chlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione?
(3R)-1-benzyl-3-[4-(3-chlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione has a molecular weight of 383.88 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-benzyl-3-[4-(3-chlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 2689096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).