1-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]pyrrolidin-2-one

C16H22ClN3O — CID 118727894

IUPAC1-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCN1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C16H22ClN3O/c17-14-4-1-2-5-15(14)19-11-8-18(9-12-19)10-13-20-7-3-6-16(20)21/h1-2,4-5H,3,6-13H2
InChIKeyFGKBXCDUKUAWBA-UHFFFAOYSA-N
MW307.82 g/mol
LogP2.08
Rot. Bonds4

About 1-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]pyrrolidin-2-one

1-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]pyrrolidin-2-one (PubChem CID 118727894) has the molecular formula C16H22ClN3O and a molecular weight of 307.82 g/mol. Its IUPAC name is 1-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]pyrrolidin-2-one
PubChem CID118727894
Molecular FormulaC16H22ClN3O
Molecular Weight307.82 g/mol
Exact Mass307.15
IUPAC Name1-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCN1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C16H22ClN3O/c17-14-4-1-2-5-15(14)19-11-8-18(9-12-19)10-13-20-7-3-6-16(20)21/h1-2,4-5H,3,6-13H2
InChIKeyFGKBXCDUKUAWBA-UHFFFAOYSA-N
XLogP2.08
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]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 1-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]pyrrolidin-2-one (CID 118727894) is 1-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]pyrrolidin-2-one is O=C1CCCN1CCN1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of 1-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]pyrrolidin-2-one?
The InChIKey is FGKBXCDUKUAWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O/c17-14-4-1-2-5-15(14)19-11-8-18(9-12-19)10-13-20-7-3-6-16(20)21/h1-2,4-5H,3,6-13H2.
What are the key properties of 1-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]pyrrolidin-2-one?
1-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]pyrrolidin-2-one has a molecular weight of 307.82 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 118727894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).