5-(4-bromophenyl)-1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyrrolidin-2-one

C23H28BrN3O2 — CID 10599950

IUPAC5-(4-bromophenyl)-1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyrrolidin-2-one
SMILESCOc1ccccc1N1CCN(CCN2C(=O)CCC2c2ccc(Br)cc2)CC1
InChIInChI=1S/C23H28BrN3O2/c1-29-22-5-3-2-4-21(22)26-15-12-25(13-16-26)14-17-27-20(10-11-23(27)28)18-6-8-19(24)9-7-18/h2-9,20H,10-17H2,1H3
InChIKeyMNZGBWMSKKNBIF-UHFFFAOYSA-N
MW458.40 g/mol
LogP3.94
Rot. Bonds6

About 5-(4-bromophenyl)-1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyrrolidin-2-one

5-(4-bromophenyl)-1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyrrolidin-2-one (PubChem CID 10599950) has the molecular formula C23H28BrN3O2 and a molecular weight of 458.40 g/mol. Its IUPAC name is 5-(4-bromophenyl)-1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-(4-bromophenyl)-1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyrrolidin-2-one
PubChem CID10599950
Molecular FormulaC23H28BrN3O2
Molecular Weight458.40 g/mol
Exact Mass457.14
IUPAC Name5-(4-bromophenyl)-1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyrrolidin-2-one
SMILESCOc1ccccc1N1CCN(CCN2C(=O)CCC2c2ccc(Br)cc2)CC1
InChIInChI=1S/C23H28BrN3O2/c1-29-22-5-3-2-4-21(22)26-15-12-25(13-16-26)14-17-27-20(10-11-23(27)28)18-6-8-19(24)9-7-18/h2-9,20H,10-17H2,1H3
InChIKeyMNZGBWMSKKNBIF-UHFFFAOYSA-N
XLogP3.94
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.40
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(4-bromophenyl)-1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]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

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of 5-(4-bromophenyl)-1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyrrolidin-2-one (CID 10599950) is 5-(4-bromophenyl)-1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 5-(4-bromophenyl)-1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 5-(4-bromophenyl)-1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyrrolidin-2-one is COc1ccccc1N1CCN(CCN2C(=O)CCC2c2ccc(Br)cc2)CC1.
What is the InChIKey of 5-(4-bromophenyl)-1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyrrolidin-2-one?
The InChIKey is MNZGBWMSKKNBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28BrN3O2/c1-29-22-5-3-2-4-21(22)26-15-12-25(13-16-26)14-17-27-20(10-11-23(27)28)18-6-8-19(24)9-7-18/h2-9,20H,10-17H2,1H3.
What are the key properties of 5-(4-bromophenyl)-1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyrrolidin-2-one?
5-(4-bromophenyl)-1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyrrolidin-2-one has a molecular weight of 458.40 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 10599950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).