4-[3-(2-fluorophenyl)propanoyl]-1-methylpiperazin-2-one

C14H17FN2O2 — CID 110708111

IUPAC4-[3-(2-fluorophenyl)propanoyl]-1-methylpiperazin-2-one
SMILESCN1CCN(C(=O)CCc2ccccc2F)CC1=O
InChIInChI=1S/C14H17FN2O2/c1-16-8-9-17(10-14(16)19)13(18)7-6-11-4-2-3-5-12(11)15/h2-5H,6-10H2,1H3
InChIKeyUSXJRSZVAMJPPE-UHFFFAOYSA-N
MW264.30 g/mol
LogP1.06
Rot. Bonds3

About 4-[3-(2-fluorophenyl)propanoyl]-1-methylpiperazin-2-one

4-[3-(2-fluorophenyl)propanoyl]-1-methylpiperazin-2-one (PubChem CID 110708111) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is 4-[3-(2-fluorophenyl)propanoyl]-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[3-(2-fluorophenyl)propanoyl]-1-methylpiperazin-2-one
PubChem CID110708111
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name4-[3-(2-fluorophenyl)propanoyl]-1-methylpiperazin-2-one
SMILESCN1CCN(C(=O)CCc2ccccc2F)CC1=O
InChIInChI=1S/C14H17FN2O2/c1-16-8-9-17(10-14(16)19)13(18)7-6-11-4-2-3-5-12(11)15/h2-5H,6-10H2,1H3
InChIKeyUSXJRSZVAMJPPE-UHFFFAOYSA-N
XLogP1.06
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[3-(2-fluorophenyl)propanoyl]-1-methylpiperazin-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

4-[3-(2-fluorophenyl)propanoyl]-N,N-dimethylpiperazine-1-carboxamide
CID 110421664
1-[4-[3-(2-fluorophenyl)propanoyl]piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 55802493
3-(2-fluorophenyl)-1-[4-(3-methylsulfonylpropanoyl)piperazin-1-yl]propan-1-one
CID 110611427
1-(4,4-dimethoxypiperidin-1-yl)-3-(2-fluorophenyl)propan-1-one
CID 112534879
1-[4-[3-(diethylamino)propanoyl]piperazin-1-yl]-3-(2-fluorophenyl)propan-1-one
CID 110611618
4-[3-(2-fluorophenyl)propanoyl]-1-(2-methoxy-4-pyridinyl)piperazin-2-one
CID 139023373
3-(2-fluorophenyl)-1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110666015
1-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-3-(2-fluorophenyl)propan-1-one
CID 9429043
4-[2-(3-fluorophenyl)acetyl]-1-methylpiperazin-2-one
CID 110708115
4-butanoyl-1-methylpiperazin-2-one
CID 64693337
3-(2-fluorophenyl)-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]propan-1-one
CID 95351563
3-(2-fluorophenyl)-1-[4-(2-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 110603278

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-fluorophenyl)propanoyl]-1-methylpiperazin-2-one?
The IUPAC name of 4-[3-(2-fluorophenyl)propanoyl]-1-methylpiperazin-2-one (CID 110708111) is 4-[3-(2-fluorophenyl)propanoyl]-1-methylpiperazin-2-one.
What is the SMILES notation for 4-[3-(2-fluorophenyl)propanoyl]-1-methylpiperazin-2-one?
The canonical SMILES for 4-[3-(2-fluorophenyl)propanoyl]-1-methylpiperazin-2-one is CN1CCN(C(=O)CCc2ccccc2F)CC1=O.
What is the InChIKey of 4-[3-(2-fluorophenyl)propanoyl]-1-methylpiperazin-2-one?
The InChIKey is USXJRSZVAMJPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-16-8-9-17(10-14(16)19)13(18)7-6-11-4-2-3-5-12(11)15/h2-5H,6-10H2,1H3.
What are the key properties of 4-[3-(2-fluorophenyl)propanoyl]-1-methylpiperazin-2-one?
4-[3-(2-fluorophenyl)propanoyl]-1-methylpiperazin-2-one has a molecular weight of 264.30 g/mol, XLogP of 1.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-fluorophenyl)propanoyl]-1-methylpiperazin-2-one is sourced from PubChem (CID 110708111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).