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

C17H23N3O2 — CID 14615409

IUPAC1-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one
SMILESCc1ccccc1N1CCN(C(=O)CN2CCCC2=O)CC1
InChIInChI=1S/C17H23N3O2/c1-14-5-2-3-6-15(14)18-9-11-19(12-10-18)17(22)13-20-8-4-7-16(20)21/h2-3,5-6H,4,7-13H2,1H3
InChIKeyIPRJEPZKCVSXMF-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.27
Rot. Bonds3

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

1-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one (PubChem CID 14615409) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one
PubChem CID14615409
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name1-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one
SMILESCc1ccccc1N1CCN(C(=O)CN2CCCC2=O)CC1
InChIInChI=1S/C17H23N3O2/c1-14-5-2-3-6-15(14)18-9-11-19(12-10-18)17(22)13-20-8-4-7-16(20)21/h2-3,5-6H,4,7-13H2,1H3
InChIKeyIPRJEPZKCVSXMF-UHFFFAOYSA-N
XLogP1.27
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]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-[3-[4-(2-methylphenyl)-1,4-diazepan-1-yl]-3-oxopropyl]azepan-2-one
CID 70711022
(1S,6R)-3-[2-[4-(2-methylphenyl)-1,4-diazepan-1-yl]-2-oxoethyl]-3,9-diazabicyclo[4.2.1]nonan-4-one
CID 72876592
1-[2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one
CID 23584597
ethanol;bis(1-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one);dihydrochloride
CID 172885436
2-chloro-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 4741212
1-[2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one;dihydrochloride
CID 23584596
2-tert-butylsulfanyl-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 112766349
1-(4-cyclopentylpiperazin-1-yl)-2-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 57442352
2-(4-cyclohexylpiperazin-1-yl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 134483239
1-[2-oxo-2-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]ethyl]pyrrolidin-2-one
CID 56883257
1-[1-[4-(2-methylphenyl)-1,4-diazepan-1-yl]-1-oxopropan-2-yl]pyrrolidin-2-one
CID 70746444
1-[4-(2-methylphenyl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 112766387

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one (CID 14615409) is 1-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one is Cc1ccccc1N1CCN(C(=O)CN2CCCC2=O)CC1.
What is the InChIKey of 1-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one?
The InChIKey is IPRJEPZKCVSXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-14-5-2-3-6-15(14)18-9-11-19(12-10-18)17(22)13-20-8-4-7-16(20)21/h2-3,5-6H,4,7-13H2,1H3.
What are the key properties of 1-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one?
1-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one has a molecular weight of 301.39 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one is sourced from PubChem (CID 14615409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).