1-(3-bromophenyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one

C22H24BrN3O2 — CID 46587894

IUPAC1-(3-bromophenyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCc1cccc(N2CCN(C(=O)C3CC(=O)N(c4cccc(Br)c4)C3)CC2)c1
InChIInChI=1S/C22H24BrN3O2/c1-16-4-2-6-19(12-16)24-8-10-25(11-9-24)22(28)17-13-21(27)26(15-17)20-7-3-5-18(23)14-20/h2-7,12,14,17H,8-11,13,15H2,1H3
InChIKeyRTXSZTOJVCCGAC-UHFFFAOYSA-N
MW442.36 g/mol
LogP3.46
Rot. Bonds3

About 1-(3-bromophenyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one

1-(3-bromophenyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 46587894) has the molecular formula C22H24BrN3O2 and a molecular weight of 442.36 g/mol. Its IUPAC name is 1-(3-bromophenyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-bromophenyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
PubChem CID46587894
Molecular FormulaC22H24BrN3O2
Molecular Weight442.36 g/mol
Exact Mass441.11
IUPAC Name1-(3-bromophenyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCc1cccc(N2CCN(C(=O)C3CC(=O)N(c4cccc(Br)c4)C3)CC2)c1
InChIInChI=1S/C22H24BrN3O2/c1-16-4-2-6-19(12-16)24-8-10-25(11-9-24)22(28)17-13-21(27)26(15-17)20-7-3-5-18(23)14-20/h2-7,12,14,17H,8-11,13,15H2,1H3
InChIKeyRTXSZTOJVCCGAC-UHFFFAOYSA-N
XLogP3.46
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.36
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3-bromophenyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-fluorophenyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 113190156
4-[4-(3-methylphenyl)piperazine-1-carbonyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 46550511
1-(3-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 17120609
1-(4-ethylphenyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 43034872
1-(3-bromophenyl)-4-(4-methyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one
CID 78851698
1-(3-bromophenyl)-4-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 122336448
1-(3-bromophenyl)-4-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 90506368
1-(3-bromophenyl)-4-[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 122332847
1-(4-ethoxyphenyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 24533480
1-(3-bromophenyl)-4-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 90506600
4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-(3-methylphenyl)pyrrolidin-2-one
CID 17120613
1-(3-bromophenyl)-4-(4-cyclopentylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 55575787

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-(3-bromophenyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one (CID 46587894) is 1-(3-bromophenyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-(3-bromophenyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-(3-bromophenyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one is Cc1cccc(N2CCN(C(=O)C3CC(=O)N(c4cccc(Br)c4)C3)CC2)c1.
What is the InChIKey of 1-(3-bromophenyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is RTXSZTOJVCCGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24BrN3O2/c1-16-4-2-6-19(12-16)24-8-10-25(11-9-24)22(28)17-13-21(27)26(15-17)20-7-3-5-18(23)14-20/h2-7,12,14,17H,8-11,13,15H2,1H3.
What are the key properties of 1-(3-bromophenyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one?
1-(3-bromophenyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 442.36 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 46587894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).