1-[(4-benzylpiperazin-1-yl)methyl]-3-methyl-3-phenylpyrrolidine-2,5-dione;hydrochloride

C23H28ClN3O2 — CID 70675866

IUPAC1-[(4-benzylpiperazin-1-yl)methyl]-3-methyl-3-phenylpyrrolidine-2,5-dione;hydrochloride
SMILESCC1(c2ccccc2)CC(=O)N(CN2CCN(Cc3ccccc3)CC2)C1=O.Cl
InChIInChI=1S/C23H27N3O2.ClH/c1-23(20-10-6-3-7-11-20)16-21(27)26(22(23)28)18-25-14-12-24(13-15-25)17-19-8-4-2-5-9-19;/h2-11H,12-18H2,1H3;1H
InChIKeyCXZDSLVPFQJENF-UHFFFAOYSA-N
MW413.95 g/mol
LogP2.90
Rot. Bonds5

About 1-[(4-benzylpiperazin-1-yl)methyl]-3-methyl-3-phenylpyrrolidine-2,5-dione;hydrochloride

1-[(4-benzylpiperazin-1-yl)methyl]-3-methyl-3-phenylpyrrolidine-2,5-dione;hydrochloride (PubChem CID 70675866) has the molecular formula C23H28ClN3O2 and a molecular weight of 413.95 g/mol. Its IUPAC name is 1-[(4-benzylpiperazin-1-yl)methyl]-3-methyl-3-phenylpyrrolidine-2,5-dione;hydrochloride.

Molecular Properties

Compound Name1-[(4-benzylpiperazin-1-yl)methyl]-3-methyl-3-phenylpyrrolidine-2,5-dione;hydrochloride
PubChem CID70675866
Molecular FormulaC23H28ClN3O2
Molecular Weight413.95 g/mol
Exact Mass413.19
IUPAC Name1-[(4-benzylpiperazin-1-yl)methyl]-3-methyl-3-phenylpyrrolidine-2,5-dione;hydrochloride
SMILESCC1(c2ccccc2)CC(=O)N(CN2CCN(Cc3ccccc3)CC2)C1=O.Cl
InChIInChI=1S/C23H27N3O2.ClH/c1-23(20-10-6-3-7-11-20)16-21(27)26(22(23)28)18-25-14-12-24(13-15-25)17-19-8-4-2-5-9-19;/h2-11H,12-18H2,1H3;1H
InChIKeyCXZDSLVPFQJENF-UHFFFAOYSA-N
XLogP2.90
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.95
LogP ≤ 52.90
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-benzyl-3-methyl-3-phenylpyrrolidine-2,5-dione
CID 102187715
1-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-methyl-3-phenylpyrrolidine-2,5-dione
CID 70675869
3-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 42911323
3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-phenylpyrrolidine-2,5-dione
CID 60977307
3-methyl-1-[3-(methylamino)propyl]-3-phenylpyrrolidine-2,5-dione
CID 61348826
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
8-benzyl-2-methyl-2,8-diazaspiro[4.5]decane-1,3-dione;dihydrochloride
CID 121005441
1-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-3,3-diphenylpyrrolidine-2,5-dione
CID 71531907
(5R)-5-benzyl-3-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]methyl]-5-phenylimidazolidine-2,4-dione
CID 51684122
2-[(4-benzylsulfonylpiperazin-1-yl)methyl]-2-azaspiro[4.4]nonane-1,3-dione
CID 9244980
1,4-dibenzyl-6-ethyl-6-phenyl-1,4-diazepane-5,7-dione
CID 11971389
2-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-2-azaspiro[4.4]nonane-1,3-dione
CID 9244826

Frequently Asked Questions

What is the IUPAC name of 1-[(4-benzylpiperazin-1-yl)methyl]-3-methyl-3-phenylpyrrolidine-2,5-dione;hydrochloride?
The IUPAC name of 1-[(4-benzylpiperazin-1-yl)methyl]-3-methyl-3-phenylpyrrolidine-2,5-dione;hydrochloride (CID 70675866) is 1-[(4-benzylpiperazin-1-yl)methyl]-3-methyl-3-phenylpyrrolidine-2,5-dione;hydrochloride.
What is the SMILES notation for 1-[(4-benzylpiperazin-1-yl)methyl]-3-methyl-3-phenylpyrrolidine-2,5-dione;hydrochloride?
The canonical SMILES for 1-[(4-benzylpiperazin-1-yl)methyl]-3-methyl-3-phenylpyrrolidine-2,5-dione;hydrochloride is CC1(c2ccccc2)CC(=O)N(CN2CCN(Cc3ccccc3)CC2)C1=O.Cl.
What is the InChIKey of 1-[(4-benzylpiperazin-1-yl)methyl]-3-methyl-3-phenylpyrrolidine-2,5-dione;hydrochloride?
The InChIKey is CXZDSLVPFQJENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2.ClH/c1-23(20-10-6-3-7-11-20)16-21(27)26(22(23)28)18-25-14-12-24(13-15-25)17-19-8-4-2-5-9-19;/h2-11H,12-18H2,1H3;1H.
What are the key properties of 1-[(4-benzylpiperazin-1-yl)methyl]-3-methyl-3-phenylpyrrolidine-2,5-dione;hydrochloride?
1-[(4-benzylpiperazin-1-yl)methyl]-3-methyl-3-phenylpyrrolidine-2,5-dione;hydrochloride has a molecular weight of 413.95 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-benzylpiperazin-1-yl)methyl]-3-methyl-3-phenylpyrrolidine-2,5-dione;hydrochloride is sourced from PubChem (CID 70675866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).