1-(2-fluoro-5-methylphenyl)-4-(2-methoxybenzoyl)-3-methylpiperazin-2-one

C20H21FN2O3 — CID 46036108

IUPAC1-(2-fluoro-5-methylphenyl)-4-(2-methoxybenzoyl)-3-methylpiperazin-2-one
SMILESCOc1ccccc1C(=O)N1CCN(c2cc(C)ccc2F)C(=O)C1C
InChIInChI=1S/C20H21FN2O3/c1-13-8-9-16(21)17(12-13)23-11-10-22(14(2)19(23)24)20(25)15-6-4-5-7-18(15)26-3/h4-9,12,14H,10-11H2,1-3H3
InChIKeyGEPXUHZQVFSZJU-UHFFFAOYSA-N
MW356.40 g/mol
LogP3.02
Rot. Bonds3

About 1-(2-fluoro-5-methylphenyl)-4-(2-methoxybenzoyl)-3-methylpiperazin-2-one

1-(2-fluoro-5-methylphenyl)-4-(2-methoxybenzoyl)-3-methylpiperazin-2-one (PubChem CID 46036108) has the molecular formula C20H21FN2O3 and a molecular weight of 356.40 g/mol. Its IUPAC name is 1-(2-fluoro-5-methylphenyl)-4-(2-methoxybenzoyl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name1-(2-fluoro-5-methylphenyl)-4-(2-methoxybenzoyl)-3-methylpiperazin-2-one
PubChem CID46036108
Molecular FormulaC20H21FN2O3
Molecular Weight356.40 g/mol
Exact Mass356.15
IUPAC Name1-(2-fluoro-5-methylphenyl)-4-(2-methoxybenzoyl)-3-methylpiperazin-2-one
SMILESCOc1ccccc1C(=O)N1CCN(c2cc(C)ccc2F)C(=O)C1C
InChIInChI=1S/C20H21FN2O3/c1-13-8-9-16(21)17(12-13)23-11-10-22(14(2)19(23)24)20(25)15-6-4-5-7-18(15)26-3/h4-9,12,14H,10-11H2,1-3H3
InChIKeyGEPXUHZQVFSZJU-UHFFFAOYSA-N
XLogP3.02
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2-fluoro-5-methylphenyl)-4-(2-methoxybenzoyl)-3-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-fluoro-N-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)benzamide
CID 13318472
2-methoxy-N-[2-(piperidin-1-yl)phenyl]benzamide
CID 756103
[4-(3-Chloro-phenyl)-piperazin-1-yl]-(2-methoxy-phenyl)-methanone
CID 646835
(4-(3-Chlorophenyl)piperazin-1-yl)(2-ethoxyphenyl)methanone
CID 871395
Delparantag
CID 51349239
Salverine
CID 65585
1-(4-Fluorophenyl)-2-(4-(2-methoxyphenyl)-1-piperazinyl)ethanone
CID 28307
(2S)-N-{2-[(4-methoxy-3,5-dimethylphenyl)amino]ethyl}-4-methyl-2-[(3-methylphenyl)formamido]pentanamide
CID 23644739
8-[4-(4-Fluoro-phenyl)-4-oxo-butyl]-3-(2-methoxy-benzyl)-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one
CID 15121344
1-[4-(1-Cyclobutylpiperidin-4-yl)oxyphenyl]-4-(4-fluorobenzoyl)piperazin-2-one;hydrochloride
CID 24749185
2-(2-Methoxyphenyl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 783653
1-[4-(2-Methoxy-benzoyl)-piperazin-1-yl]-2-phenyl-ethanone
CID 787279

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-methylphenyl)-4-(2-methoxybenzoyl)-3-methylpiperazin-2-one?
The IUPAC name of 1-(2-fluoro-5-methylphenyl)-4-(2-methoxybenzoyl)-3-methylpiperazin-2-one (CID 46036108) is 1-(2-fluoro-5-methylphenyl)-4-(2-methoxybenzoyl)-3-methylpiperazin-2-one.
What is the SMILES notation for 1-(2-fluoro-5-methylphenyl)-4-(2-methoxybenzoyl)-3-methylpiperazin-2-one?
The canonical SMILES for 1-(2-fluoro-5-methylphenyl)-4-(2-methoxybenzoyl)-3-methylpiperazin-2-one is COc1ccccc1C(=O)N1CCN(c2cc(C)ccc2F)C(=O)C1C.
What is the InChIKey of 1-(2-fluoro-5-methylphenyl)-4-(2-methoxybenzoyl)-3-methylpiperazin-2-one?
The InChIKey is GEPXUHZQVFSZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3/c1-13-8-9-16(21)17(12-13)23-11-10-22(14(2)19(23)24)20(25)15-6-4-5-7-18(15)26-3/h4-9,12,14H,10-11H2,1-3H3.
What are the key properties of 1-(2-fluoro-5-methylphenyl)-4-(2-methoxybenzoyl)-3-methylpiperazin-2-one?
1-(2-fluoro-5-methylphenyl)-4-(2-methoxybenzoyl)-3-methylpiperazin-2-one has a molecular weight of 356.40 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-methylphenyl)-4-(2-methoxybenzoyl)-3-methylpiperazin-2-one is sourced from PubChem (CID 46036108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).