3-ethyl-4-[3-(3-fluorophenyl)prop-2-enoyl]piperazin-2-one

C15H17FN2O2 — CID 72688402

IUPAC3-ethyl-4-[3-(3-fluorophenyl)prop-2-enoyl]piperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)C=Cc1cccc(F)c1
InChIInChI=1S/C15H17FN2O2/c1-2-13-15(20)17-8-9-18(13)14(19)7-6-11-4-3-5-12(16)10-11/h3-7,10,13H,2,8-9H2,1H3,(H,17,20)
InChIKeyHMKOKWCIBASARK-UHFFFAOYSA-N
MW276.31 g/mol
LogP1.58
Rot. Bonds3

About 3-ethyl-4-[3-(3-fluorophenyl)prop-2-enoyl]piperazin-2-one

3-ethyl-4-[3-(3-fluorophenyl)prop-2-enoyl]piperazin-2-one (PubChem CID 72688402) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is 3-ethyl-4-[3-(3-fluorophenyl)prop-2-enoyl]piperazin-2-one.

Molecular Properties

Compound Name3-ethyl-4-[3-(3-fluorophenyl)prop-2-enoyl]piperazin-2-one
PubChem CID72688402
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Name3-ethyl-4-[3-(3-fluorophenyl)prop-2-enoyl]piperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)C=Cc1cccc(F)c1
InChIInChI=1S/C15H17FN2O2/c1-2-13-15(20)17-8-9-18(13)14(19)7-6-11-4-3-5-12(16)10-11/h3-7,10,13H,2,8-9H2,1H3,(H,17,20)
InChIKeyHMKOKWCIBASARK-UHFFFAOYSA-N
XLogP1.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-ethyl-4-[3-(3-fluorophenyl)prop-2-enoyl]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

Related Compounds

4-[3-(3,5-dichlorophenyl)prop-2-enoyl]-3-ethylpiperazin-2-one
CID 77000406
4-[3-(2,3-dichlorophenyl)prop-2-enoyl]-3-ethylpiperazin-2-one
CID 77000404
ethyl 2-[3-oxo-1-(3-phenylprop-2-enoyl)piperazin-2-yl]acetate
CID 71952358
(E)-3-(3-fluorophenyl)-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]prop-2-en-1-one
CID 102738505
propyl 2-[1-[(E)-3-(3-nitrophenyl)prop-2-enoyl]-3-oxopiperazin-2-yl]acetate
CID 17176001
3-(3-fluorophenyl)-1-[(3S)-4-[3-(3-fluorophenyl)prop-2-enoyl]-3-methylpiperazin-1-yl]prop-2-en-1-one
CID 78906132
4-[3-(3-fluorophenyl)prop-2-enoyl]-1,4-diazepan-2-one
CID 76976459
4-[3-(3-chloro-4-fluorophenyl)prop-2-enoyl]-3-methylpiperazin-2-one
CID 76995606
3-(3-fluorophenyl)-1-pyrrolidin-1-ylprop-2-en-1-one
CID 73010756
4-[2-(2,6-dichlorophenyl)acetyl]-3-ethylpiperazin-2-one
CID 63602232
3-ethyl-4-[3-(4-fluorophenyl)sulfanylpropanoyl]piperazin-2-one
CID 63600129
3-methyl-4-[3-(3-phenylmethoxyphenyl)prop-2-enoyl]piperazin-2-one
CID 72685653

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-[3-(3-fluorophenyl)prop-2-enoyl]piperazin-2-one?
The IUPAC name of 3-ethyl-4-[3-(3-fluorophenyl)prop-2-enoyl]piperazin-2-one (CID 72688402) is 3-ethyl-4-[3-(3-fluorophenyl)prop-2-enoyl]piperazin-2-one.
What is the SMILES notation for 3-ethyl-4-[3-(3-fluorophenyl)prop-2-enoyl]piperazin-2-one?
The canonical SMILES for 3-ethyl-4-[3-(3-fluorophenyl)prop-2-enoyl]piperazin-2-one is CCC1C(=O)NCCN1C(=O)C=Cc1cccc(F)c1.
What is the InChIKey of 3-ethyl-4-[3-(3-fluorophenyl)prop-2-enoyl]piperazin-2-one?
The InChIKey is HMKOKWCIBASARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2/c1-2-13-15(20)17-8-9-18(13)14(19)7-6-11-4-3-5-12(16)10-11/h3-7,10,13H,2,8-9H2,1H3,(H,17,20).
What are the key properties of 3-ethyl-4-[3-(3-fluorophenyl)prop-2-enoyl]piperazin-2-one?
3-ethyl-4-[3-(3-fluorophenyl)prop-2-enoyl]piperazin-2-one has a molecular weight of 276.31 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[3-(3-fluorophenyl)prop-2-enoyl]piperazin-2-one is sourced from PubChem (CID 72688402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).