5-[4-(4-methylphenyl)piperazin-1-yl]pyrrolidin-2-one

C15H21N3O — CID 3021865

IUPAC5-[4-(4-methylphenyl)piperazin-1-yl]pyrrolidin-2-one
SMILESCc1ccc(N2CCN(C3CCC(=O)N3)CC2)cc1
InChIInChI=1S/C15H21N3O/c1-12-2-4-13(5-3-12)17-8-10-18(11-9-17)14-6-7-15(19)16-14/h2-5,14H,6-11H2,1H3,(H,16,19)
InChIKeyZJRBBGGENIGEPC-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.35
Rot. Bonds2

About 5-[4-(4-methylphenyl)piperazin-1-yl]pyrrolidin-2-one

5-[4-(4-methylphenyl)piperazin-1-yl]pyrrolidin-2-one (PubChem CID 3021865) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 5-[4-(4-methylphenyl)piperazin-1-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[4-(4-methylphenyl)piperazin-1-yl]pyrrolidin-2-one
PubChem CID3021865
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name5-[4-(4-methylphenyl)piperazin-1-yl]pyrrolidin-2-one
SMILESCc1ccc(N2CCN(C3CCC(=O)N3)CC2)cc1
InChIInChI=1S/C15H21N3O/c1-12-2-4-13(5-3-12)17-8-10-18(11-9-17)14-6-7-15(19)16-14/h2-5,14H,6-11H2,1H3,(H,16,19)
InChIKeyZJRBBGGENIGEPC-UHFFFAOYSA-N
XLogP1.35
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 5-[4-(4-methylphenyl)piperazin-1-yl]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-(4-methylphenyl)piperazin-1-yl]pyrrolidin-2-one?
The IUPAC name of 5-[4-(4-methylphenyl)piperazin-1-yl]pyrrolidin-2-one (CID 3021865) is 5-[4-(4-methylphenyl)piperazin-1-yl]pyrrolidin-2-one.
What is the SMILES notation for 5-[4-(4-methylphenyl)piperazin-1-yl]pyrrolidin-2-one?
The canonical SMILES for 5-[4-(4-methylphenyl)piperazin-1-yl]pyrrolidin-2-one is Cc1ccc(N2CCN(C3CCC(=O)N3)CC2)cc1.
What is the InChIKey of 5-[4-(4-methylphenyl)piperazin-1-yl]pyrrolidin-2-one?
The InChIKey is ZJRBBGGENIGEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-12-2-4-13(5-3-12)17-8-10-18(11-9-17)14-6-7-15(19)16-14/h2-5,14H,6-11H2,1H3,(H,16,19).
What are the key properties of 5-[4-(4-methylphenyl)piperazin-1-yl]pyrrolidin-2-one?
5-[4-(4-methylphenyl)piperazin-1-yl]pyrrolidin-2-one has a molecular weight of 259.35 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-methylphenyl)piperazin-1-yl]pyrrolidin-2-one is sourced from PubChem (CID 3021865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).