1-(3-bromophenyl)-4-(4-cyclopentylpiperazine-1-carbonyl)pyrrolidin-2-one

C20H26BrN3O2 — CID 55575787

IUPAC1-(3-bromophenyl)-4-(4-cyclopentylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESO=C(C1CC(=O)N(c2cccc(Br)c2)C1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C20H26BrN3O2/c21-16-4-3-7-18(13-16)24-14-15(12-19(24)25)20(26)23-10-8-22(9-11-23)17-5-1-2-6-17/h3-4,7,13,15,17H,1-2,5-6,8-12,14H2
InChIKeyASRMLPATRWGPAK-UHFFFAOYSA-N
MW420.35 g/mol
LogP2.89
Rot. Bonds3

About 1-(3-bromophenyl)-4-(4-cyclopentylpiperazine-1-carbonyl)pyrrolidin-2-one

1-(3-bromophenyl)-4-(4-cyclopentylpiperazine-1-carbonyl)pyrrolidin-2-one (PubChem CID 55575787) has the molecular formula C20H26BrN3O2 and a molecular weight of 420.35 g/mol. Its IUPAC name is 1-(3-bromophenyl)-4-(4-cyclopentylpiperazine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-bromophenyl)-4-(4-cyclopentylpiperazine-1-carbonyl)pyrrolidin-2-one
PubChem CID55575787
Molecular FormulaC20H26BrN3O2
Molecular Weight420.35 g/mol
Exact Mass419.12
IUPAC Name1-(3-bromophenyl)-4-(4-cyclopentylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESO=C(C1CC(=O)N(c2cccc(Br)c2)C1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C20H26BrN3O2/c21-16-4-3-7-18(13-16)24-14-15(12-19(24)25)20(26)23-10-8-22(9-11-23)17-5-1-2-6-17/h3-4,7,13,15,17H,1-2,5-6,8-12,14H2
InChIKeyASRMLPATRWGPAK-UHFFFAOYSA-N
XLogP2.89
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.35
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3-bromophenyl)-4-(4-cyclopentylpiperazine-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

(4R)-4-(4-cyclopentyl-1,4-diazepane-1-carbonyl)-1-(3-hydroxyphenyl)pyrrolidin-2-one
CID 95860840
1-(3-bromophenyl)-4-(4-methyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one
CID 78851698
1-(3-bromophenyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 46587894
1-(3-bromophenyl)-4-[3-(4-chlorophenyl)azepane-1-carbonyl]pyrrolidin-2-one
CID 121146435
4-(4-cyclopentylpiperazine-1-carbonyl)-1-(4-methylsulfanylphenyl)pyrrolidin-2-one
CID 55584434
1-(3-bromophenyl)-4-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 122336448
(4R)-4-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 29129258
4-[2-(aminomethyl)pyrrolidine-1-carbonyl]-1-(3-bromophenyl)pyrrolidin-2-one
CID 119633918
(4R)-4-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 29140001
1-(3-bromophenyl)-4-(1,1-dioxo-7-phenyl-1,4-thiazepane-4-carbonyl)pyrrolidin-2-one
CID 121191811
1-(3-bromophenyl)-4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 71780411
1-(3-bromophenyl)-4-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 90506368

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-4-(4-cyclopentylpiperazine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-(3-bromophenyl)-4-(4-cyclopentylpiperazine-1-carbonyl)pyrrolidin-2-one (CID 55575787) is 1-(3-bromophenyl)-4-(4-cyclopentylpiperazine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(3-bromophenyl)-4-(4-cyclopentylpiperazine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-(3-bromophenyl)-4-(4-cyclopentylpiperazine-1-carbonyl)pyrrolidin-2-one is O=C(C1CC(=O)N(c2cccc(Br)c2)C1)N1CCN(C2CCCC2)CC1.
What is the InChIKey of 1-(3-bromophenyl)-4-(4-cyclopentylpiperazine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is ASRMLPATRWGPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26BrN3O2/c21-16-4-3-7-18(13-16)24-14-15(12-19(24)25)20(26)23-10-8-22(9-11-23)17-5-1-2-6-17/h3-4,7,13,15,17H,1-2,5-6,8-12,14H2.
What are the key properties of 1-(3-bromophenyl)-4-(4-cyclopentylpiperazine-1-carbonyl)pyrrolidin-2-one?
1-(3-bromophenyl)-4-(4-cyclopentylpiperazine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 420.35 g/mol, XLogP of 2.89, 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-cyclopentylpiperazine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 55575787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).