1-(4-chlorophenyl)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one

C21H21ClFN3O2 — CID 17082146

IUPAC1-(4-chlorophenyl)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESO=C(C1CC(=O)N(c2ccc(Cl)cc2)C1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C21H21ClFN3O2/c22-16-1-5-19(6-2-16)26-14-15(13-20(26)27)21(28)25-11-9-24(10-12-25)18-7-3-17(23)4-8-18/h1-8,15H,9-14H2
InChIKeyWLTVXFNSGXYRHF-UHFFFAOYSA-N
MW401.87 g/mol
LogP3.18
Rot. Bonds3

About 1-(4-chlorophenyl)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one

1-(4-chlorophenyl)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 17082146) has the molecular formula C21H21ClFN3O2 and a molecular weight of 401.87 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
PubChem CID17082146
Molecular FormulaC21H21ClFN3O2
Molecular Weight401.87 g/mol
Exact Mass401.13
IUPAC Name1-(4-chlorophenyl)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESO=C(C1CC(=O)N(c2ccc(Cl)cc2)C1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C21H21ClFN3O2/c22-16-1-5-19(6-2-16)26-14-15(13-20(26)27)21(28)25-11-9-24(10-12-25)18-7-3-17(23)4-8-18/h1-8,15H,9-14H2
InChIKeyWLTVXFNSGXYRHF-UHFFFAOYSA-N
XLogP3.18
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.87
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-chlorophenyl)-4-[4-(4-fluorophenyl)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

4-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 17118563
(4S)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 40822839
(4S)-4-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 41168133
1-(2-fluorophenyl)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 46663955
N-[2-[4-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]ethyl]-4-fluorobenzamide
CID 44962564
4-(piperidine-1-carbonyl)-1-(4-piperidin-1-ylphenyl)pyrrolidin-2-one
CID 113189848
(4S)-1-(4-chlorophenyl)-4-(4-methylpiperazin-4-ium-1-carbonyl)pyrrolidin-2-one
CID 7337159
1-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 6497629
4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1-(4-fluorophenyl)pyrrolidin-2-one
CID 17310631
(4R)-1-(2-ethylphenyl)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 9081525
1-(2,5-dimethylphenyl)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 17151750
1-(3-chloro-4-fluorophenyl)-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 4278143

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-(4-chlorophenyl)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one (CID 17082146) is 1-(4-chlorophenyl)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-(4-chlorophenyl)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-(4-chlorophenyl)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one is O=C(C1CC(=O)N(c2ccc(Cl)cc2)C1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is WLTVXFNSGXYRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClFN3O2/c22-16-1-5-19(6-2-16)26-14-15(13-20(26)27)21(28)25-11-9-24(10-12-25)18-7-3-17(23)4-8-18/h1-8,15H,9-14H2.
What are the key properties of 1-(4-chlorophenyl)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one?
1-(4-chlorophenyl)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 401.87 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 17082146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).