1-[2-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-oxoethyl]piperazin-2-one

C17H22FN3O2 — CID 122148269

IUPAC1-[2-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-oxoethyl]piperazin-2-one
SMILESCC1CC(c2ccccc2F)N(C(=O)CN2CCNCC2=O)C1
InChIInChI=1S/C17H22FN3O2/c1-12-8-15(13-4-2-3-5-14(13)18)21(10-12)17(23)11-20-7-6-19-9-16(20)22/h2-5,12,15,19H,6-11H2,1H3
InChIKeyCIFOOEITMJQRCA-UHFFFAOYSA-N
MW319.38 g/mol
LogP1.17
Rot. Bonds3

About 1-[2-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-oxoethyl]piperazin-2-one

1-[2-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-oxoethyl]piperazin-2-one (PubChem CID 122148269) has the molecular formula C17H22FN3O2 and a molecular weight of 319.38 g/mol. Its IUPAC name is 1-[2-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-oxoethyl]piperazin-2-one.

Molecular Properties

Compound Name1-[2-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-oxoethyl]piperazin-2-one
PubChem CID122148269
Molecular FormulaC17H22FN3O2
Molecular Weight319.38 g/mol
Exact Mass319.17
IUPAC Name1-[2-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-oxoethyl]piperazin-2-one
SMILESCC1CC(c2ccccc2F)N(C(=O)CN2CCNCC2=O)C1
InChIInChI=1S/C17H22FN3O2/c1-12-8-15(13-4-2-3-5-14(13)18)21(10-12)17(23)11-20-7-6-19-9-16(20)22/h2-5,12,15,19H,6-11H2,1H3
InChIKeyCIFOOEITMJQRCA-UHFFFAOYSA-N
XLogP1.17
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-oxoethyl]piperazin-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-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-oxoethyl]piperazin-2-one?
The IUPAC name of 1-[2-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-oxoethyl]piperazin-2-one (CID 122148269) is 1-[2-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-oxoethyl]piperazin-2-one.
What is the SMILES notation for 1-[2-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-oxoethyl]piperazin-2-one?
The canonical SMILES for 1-[2-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-oxoethyl]piperazin-2-one is CC1CC(c2ccccc2F)N(C(=O)CN2CCNCC2=O)C1.
What is the InChIKey of 1-[2-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-oxoethyl]piperazin-2-one?
The InChIKey is CIFOOEITMJQRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O2/c1-12-8-15(13-4-2-3-5-14(13)18)21(10-12)17(23)11-20-7-6-19-9-16(20)22/h2-5,12,15,19H,6-11H2,1H3.
What are the key properties of 1-[2-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-oxoethyl]piperazin-2-one?
1-[2-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-oxoethyl]piperazin-2-one has a molecular weight of 319.38 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-oxoethyl]piperazin-2-one is sourced from PubChem (CID 122148269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).