3-ethyl-4-[3-fluoro-2-(methylamino)benzoyl]piperazin-2-one

C14H18FN3O2 — CID 63604442

IUPAC3-ethyl-4-[3-fluoro-2-(methylamino)benzoyl]piperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)c1cccc(F)c1NC
InChIInChI=1S/C14H18FN3O2/c1-3-11-13(19)17-7-8-18(11)14(20)9-5-4-6-10(15)12(9)16-2/h4-6,11,16H,3,7-8H2,1-2H3,(H,17,19)
InChIKeyFUZJYGDBHSUINM-UHFFFAOYSA-N
MW279.31 g/mol
LogP1.22
Rot. Bonds3

About 3-ethyl-4-[3-fluoro-2-(methylamino)benzoyl]piperazin-2-one

3-ethyl-4-[3-fluoro-2-(methylamino)benzoyl]piperazin-2-one (PubChem CID 63604442) has the molecular formula C14H18FN3O2 and a molecular weight of 279.31 g/mol. Its IUPAC name is 3-ethyl-4-[3-fluoro-2-(methylamino)benzoyl]piperazin-2-one.

Molecular Properties

Compound Name3-ethyl-4-[3-fluoro-2-(methylamino)benzoyl]piperazin-2-one
PubChem CID63604442
Molecular FormulaC14H18FN3O2
Molecular Weight279.31 g/mol
Exact Mass279.14
IUPAC Name3-ethyl-4-[3-fluoro-2-(methylamino)benzoyl]piperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)c1cccc(F)c1NC
InChIInChI=1S/C14H18FN3O2/c1-3-11-13(19)17-7-8-18(11)14(20)9-5-4-6-10(15)12(9)16-2/h4-6,11,16H,3,7-8H2,1-2H3,(H,17,19)
InChIKeyFUZJYGDBHSUINM-UHFFFAOYSA-N
XLogP1.22
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-4-[2-(methylamino)benzoyl]piperazin-2-one
CID 63604913
3-ethyl-4-(2-methylbenzoyl)piperazin-2-one
CID 63601884
3-ethyl-4-[5-methyl-2-(methylamino)benzoyl]piperazin-2-one
CID 63604617
3-ethyl-4-(1,2,3,4-tetrahydroquinoline-8-carbonyl)piperazin-2-one
CID 63603518
methyl 2-[1-(2,6-difluorobenzoyl)-3-oxopiperazin-2-yl]acetate
CID 3994011
4-(2,3-difluorobenzoyl)-3-methylpiperazin-2-one
CID 63373788
3-ethyl-4-(3-fluoro-2-hydrazinylpyridine-4-carbonyl)piperazin-2-one
CID 105388347
butyl 2-[1-(2-fluorobenzoyl)-3-oxopiperazin-2-yl]acetate
CID 4959194
6-(2-ethyl-3-oxopiperazine-1-carbonyl)pyridine-2-carboxylic acid
CID 63603373
4-(2-chloro-5-sulfanylbenzoyl)-3-ethylpiperazin-2-one
CID 107029813
4-(2,4-dibromobenzoyl)-3-ethylpiperazin-2-one
CID 103882803
4-(2,5-dimethylthiophene-3-carbonyl)-3-ethylpiperazin-2-one
CID 63601701

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-[3-fluoro-2-(methylamino)benzoyl]piperazin-2-one?
The IUPAC name of 3-ethyl-4-[3-fluoro-2-(methylamino)benzoyl]piperazin-2-one (CID 63604442) is 3-ethyl-4-[3-fluoro-2-(methylamino)benzoyl]piperazin-2-one.
What is the SMILES notation for 3-ethyl-4-[3-fluoro-2-(methylamino)benzoyl]piperazin-2-one?
The canonical SMILES for 3-ethyl-4-[3-fluoro-2-(methylamino)benzoyl]piperazin-2-one is CCC1C(=O)NCCN1C(=O)c1cccc(F)c1NC.
What is the InChIKey of 3-ethyl-4-[3-fluoro-2-(methylamino)benzoyl]piperazin-2-one?
The InChIKey is FUZJYGDBHSUINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2/c1-3-11-13(19)17-7-8-18(11)14(20)9-5-4-6-10(15)12(9)16-2/h4-6,11,16H,3,7-8H2,1-2H3,(H,17,19).
What are the key properties of 3-ethyl-4-[3-fluoro-2-(methylamino)benzoyl]piperazin-2-one?
3-ethyl-4-[3-fluoro-2-(methylamino)benzoyl]piperazin-2-one has a molecular weight of 279.31 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[3-fluoro-2-(methylamino)benzoyl]piperazin-2-one is sourced from PubChem (CID 63604442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).