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

C24H29N3O2 — CID 43034872

IUPAC1-(4-ethylphenyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCCc1ccc(N2CC(C(=O)N3CCN(c4cccc(C)c4)CC3)CC2=O)cc1
InChIInChI=1S/C24H29N3O2/c1-3-19-7-9-21(10-8-19)27-17-20(16-23(27)28)24(29)26-13-11-25(12-14-26)22-6-4-5-18(2)15-22/h4-10,15,20H,3,11-14,16-17H2,1-2H3
InChIKeyYLFREACPYLGFJN-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.26
Rot. Bonds4

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

1-(4-ethylphenyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 43034872) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-ethylphenyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
PubChem CID43034872
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name1-(4-ethylphenyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCCc1ccc(N2CC(C(=O)N3CCN(c4cccc(C)c4)CC3)CC2=O)cc1
InChIInChI=1S/C24H29N3O2/c1-3-19-7-9-21(10-8-19)27-17-20(16-23(27)28)24(29)26-13-11-25(12-14-26)22-6-4-5-18(2)15-22/h4-10,15,20H,3,11-14,16-17H2,1-2H3
InChIKeyYLFREACPYLGFJN-UHFFFAOYSA-N
XLogP3.26
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-ethylphenyl)-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-(4-ethoxyphenyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 24533480
1-(3-fluorophenyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 113190156
1-(3-bromophenyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 46587894
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
(4R)-1-(4-ethylphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 9389112
1-(4-ethylphenyl)-4-[4-(2-nitrophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 46563053
(4R)-4-(4-benzylpiperazine-1-carbonyl)-1-(4-ethylphenyl)pyrrolidin-2-one
CID 9388978
4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-(3-methylphenyl)pyrrolidin-2-one
CID 17120613
(4R)-1-(4-ethylphenyl)-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 9390081
1-(4-ethylphenyl)-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3155517
N-(2,6-dimethylphenyl)-2-[4-[1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]acetamide
CID 46809500

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-(4-ethylphenyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one (CID 43034872) is 1-(4-ethylphenyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-(4-ethylphenyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-(4-ethylphenyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one is CCc1ccc(N2CC(C(=O)N3CCN(c4cccc(C)c4)CC3)CC2=O)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is YLFREACPYLGFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-3-19-7-9-21(10-8-19)27-17-20(16-23(27)28)24(29)26-13-11-25(12-14-26)22-6-4-5-18(2)15-22/h4-10,15,20H,3,11-14,16-17H2,1-2H3.
What are the key properties of 1-(4-ethylphenyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one?
1-(4-ethylphenyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 391.52 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 43034872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).