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

C21H22ClN3O2 — CID 2085222

IUPAC(3R)-3-[4-(2-chlorophenyl)piperazin-1-yl]-1-(2-methylphenyl)pyrrolidine-2,5-dione
SMILESCc1ccccc1N1C(=O)C[C@@H](N2CCN(c3ccccc3Cl)CC2)C1=O
InChIInChI=1S/C21H22ClN3O2/c1-15-6-2-4-8-17(15)25-20(26)14-19(21(25)27)24-12-10-23(11-13-24)18-9-5-3-7-16(18)22/h2-9,19H,10-14H2,1H3/t19-/m1/s1
InChIKeyTYGDAOFVHNMPQN-LJQANCHMSA-N
MW383.88 g/mol
LogP3.10
Rot. Bonds3

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

(3R)-3-[4-(2-chlorophenyl)piperazin-1-yl]-1-(2-methylphenyl)pyrrolidine-2,5-dione (PubChem CID 2085222) has the molecular formula C21H22ClN3O2 and a molecular weight of 383.88 g/mol. Its IUPAC name is (3R)-3-[4-(2-chlorophenyl)piperazin-1-yl]-1-(2-methylphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-[4-(2-chlorophenyl)piperazin-1-yl]-1-(2-methylphenyl)pyrrolidine-2,5-dione
PubChem CID2085222
Molecular FormulaC21H22ClN3O2
Molecular Weight383.88 g/mol
Exact Mass383.14
IUPAC Name(3R)-3-[4-(2-chlorophenyl)piperazin-1-yl]-1-(2-methylphenyl)pyrrolidine-2,5-dione
SMILESCc1ccccc1N1C(=O)C[C@@H](N2CCN(c3ccccc3Cl)CC2)C1=O
InChIInChI=1S/C21H22ClN3O2/c1-15-6-2-4-8-17(15)25-20(26)14-19(21(25)27)24-12-10-23(11-13-24)18-9-5-3-7-16(18)22/h2-9,19H,10-14H2,1H3/t19-/m1/s1
InChIKeyTYGDAOFVHNMPQN-LJQANCHMSA-N
XLogP3.10
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 53.10
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

(3S)-1-(2-methylphenyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione
CID 896564
(3R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(2-methylphenyl)pyrrolidine-2,5-dione
CID 2126419
(3S)-3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1-(2-fluorophenyl)pyrrolidine-2,5-dione
CID 1291643
(3R)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-(2-methylphenyl)pyrrolidine-2,5-dione
CID 7923588
(3S)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-(2-methylphenyl)pyrrolidine-2,5-dione
CID 7923586
1-(2-chlorophenyl)-3-piperazin-1-ylpyrrolidine-2,5-dione
CID 54773610
(3R)-3-(4-benzylpiperazin-1-yl)-1-(2-chlorophenyl)pyrrolidine-2,5-dione
CID 1080528
(3S)-1-(2,6-dimethylphenyl)-3-[4-(2-hydroxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 2652727
ethyl 1-[1-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate
CID 17190530
(3S)-3-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-1-(2-methylphenyl)pyrrolidine-2,5-dione
CID 2095768
(3S)-3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-1-phenylpyrrolidine-2,5-dione
CID 1113020
(3R)-3-[4-(4-chlorophenyl)piperazin-1-yl]-1-(2-fluorophenyl)pyrrolidine-2,5-dione
CID 1109081

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[4-(2-chlorophenyl)piperazin-1-yl]-1-(2-methylphenyl)pyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-[4-(2-chlorophenyl)piperazin-1-yl]-1-(2-methylphenyl)pyrrolidine-2,5-dione (CID 2085222) is (3R)-3-[4-(2-chlorophenyl)piperazin-1-yl]-1-(2-methylphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-[4-(2-chlorophenyl)piperazin-1-yl]-1-(2-methylphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-[4-(2-chlorophenyl)piperazin-1-yl]-1-(2-methylphenyl)pyrrolidine-2,5-dione is Cc1ccccc1N1C(=O)C[C@@H](N2CCN(c3ccccc3Cl)CC2)C1=O.
What is the InChIKey of (3R)-3-[4-(2-chlorophenyl)piperazin-1-yl]-1-(2-methylphenyl)pyrrolidine-2,5-dione?
The InChIKey is TYGDAOFVHNMPQN-LJQANCHMSA-N. The full InChI is InChI=1S/C21H22ClN3O2/c1-15-6-2-4-8-17(15)25-20(26)14-19(21(25)27)24-12-10-23(11-13-24)18-9-5-3-7-16(18)22/h2-9,19H,10-14H2,1H3/t19-/m1/s1.
What are the key properties of (3R)-3-[4-(2-chlorophenyl)piperazin-1-yl]-1-(2-methylphenyl)pyrrolidine-2,5-dione?
(3R)-3-[4-(2-chlorophenyl)piperazin-1-yl]-1-(2-methylphenyl)pyrrolidine-2,5-dione has a molecular weight of 383.88 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[4-(2-chlorophenyl)piperazin-1-yl]-1-(2-methylphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 2085222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).