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

C27H26ClN3O2 — CID 71531907

IUPAC1-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-3,3-diphenylpyrrolidine-2,5-dione
SMILESO=C1CC(c2ccccc2)(c2ccccc2)C(=O)N1CN1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C27H26ClN3O2/c28-23-11-13-24(14-12-23)30-17-15-29(16-18-30)20-31-25(32)19-27(26(31)33,21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-14H,15-20H2
InChIKeyWLJJKQPBNJSAST-UHFFFAOYSA-N
MW459.98 g/mol
LogP4.16
Rot. Bonds5

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

1-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-3,3-diphenylpyrrolidine-2,5-dione (PubChem CID 71531907) has the molecular formula C27H26ClN3O2 and a molecular weight of 459.98 g/mol. Its IUPAC name is 1-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-3,3-diphenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-3,3-diphenylpyrrolidine-2,5-dione
PubChem CID71531907
Molecular FormulaC27H26ClN3O2
Molecular Weight459.98 g/mol
Exact Mass459.17
IUPAC Name1-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-3,3-diphenylpyrrolidine-2,5-dione
SMILESO=C1CC(c2ccccc2)(c2ccccc2)C(=O)N1CN1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C27H26ClN3O2/c28-23-11-13-24(14-12-23)30-17-15-29(16-18-30)20-31-25(32)19-27(26(31)33,21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-14H,15-20H2
InChIKeyWLJJKQPBNJSAST-UHFFFAOYSA-N
XLogP4.16
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.98
LogP ≤ 54.16
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

1-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-3,3-diphenylpyrrolidine-2,5-dione
CID 71531777
1'-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]spiro[fluorene-9,3'-pyrrolidine]-2',5'-dione
CID 3644671
1-(3-chloropropyl)-3,3-diphenylpyrrolidine-2,5-dione
CID 89315616
3-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 42911323
2-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]isoindole-1,3-dione;hydrochloride
CID 3088495
5,5-diphenyl-3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]imidazolidine-2,4-dione
CID 31384492
(5S)-3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 2455635
1-benzyl-3-[(4-phenylpiperazin-1-yl)methyl]imidazolidine-2,4,5-trione
CID 2575629
3'-[(4-phenylpiperazin-1-yl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 4877532
1-chloro-3-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-3-ethylindol-2-one
CID 174510794
1-(4-chlorophenyl)-4-[(2-chlorophenyl)methyl]piperazine
CID 764693
4-[(4-chlorophenoxy)methyl]-1'-[(4-phenylpiperazin-1-yl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 3534895

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-3,3-diphenylpyrrolidine-2,5-dione?
The IUPAC name of 1-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-3,3-diphenylpyrrolidine-2,5-dione (CID 71531907) is 1-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-3,3-diphenylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-3,3-diphenylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-3,3-diphenylpyrrolidine-2,5-dione is O=C1CC(c2ccccc2)(c2ccccc2)C(=O)N1CN1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-3,3-diphenylpyrrolidine-2,5-dione?
The InChIKey is WLJJKQPBNJSAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClN3O2/c28-23-11-13-24(14-12-23)30-17-15-29(16-18-30)20-31-25(32)19-27(26(31)33,21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-14H,15-20H2.
What are the key properties of 1-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-3,3-diphenylpyrrolidine-2,5-dione?
1-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-3,3-diphenylpyrrolidine-2,5-dione has a molecular weight of 459.98 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-3,3-diphenylpyrrolidine-2,5-dione is sourced from PubChem (CID 71531907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).