4-(2-amino-6-methylbenzoyl)-3-ethylpiperazin-2-one

C14H19N3O2 — CID 63601793

IUPAC4-(2-amino-6-methylbenzoyl)-3-ethylpiperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)c1c(C)cccc1N
InChIInChI=1S/C14H19N3O2/c1-3-11-13(18)16-7-8-17(11)14(19)12-9(2)5-4-6-10(12)15/h4-6,11H,3,7-8,15H2,1-2H3,(H,16,18)
InChIKeyRFONRTFONXYDDX-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.93
Rot. Bonds2

About 4-(2-amino-6-methylbenzoyl)-3-ethylpiperazin-2-one

4-(2-amino-6-methylbenzoyl)-3-ethylpiperazin-2-one (PubChem CID 63601793) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-(2-amino-6-methylbenzoyl)-3-ethylpiperazin-2-one.

Molecular Properties

Compound Name4-(2-amino-6-methylbenzoyl)-3-ethylpiperazin-2-one
PubChem CID63601793
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name4-(2-amino-6-methylbenzoyl)-3-ethylpiperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)c1c(C)cccc1N
InChIInChI=1S/C14H19N3O2/c1-3-11-13(18)16-7-8-17(11)14(19)12-9(2)5-4-6-10(12)15/h4-6,11H,3,7-8,15H2,1-2H3,(H,16,18)
InChIKeyRFONRTFONXYDDX-UHFFFAOYSA-N
XLogP0.93
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-4-(2-methylbenzoyl)piperazin-2-one
CID 63601884
4-(6-aminopyridine-2-carbonyl)-3-ethylpiperazin-2-one
CID 55218091
(3R)-4-(6-aminopyridine-2-carbonyl)-3-ethylpiperazin-2-one
CID 98523415
4-(6-aminopyridine-2-carbonyl)-3-ethylpiperazin-2-one;hydrochloride
CID 119999095
3-ethyl-4-[2-(2-methylphenyl)acetyl]piperazin-2-one
CID 63601493
(3R)-3-ethyl-4-(3-iodo-4-methylbenzoyl)piperazin-2-one
CID 1382904
3-ethyl-4-(6-hydrazinylpyridine-2-carbonyl)piperazin-2-one
CID 63603750
6-(2-ethyl-3-oxopiperazine-1-carbonyl)pyridine-2-carboxylic acid
CID 63603373
4-(4-amino-1H-pyrazole-5-carbonyl)-3-ethylpiperazin-2-one
CID 63600417
ethyl 2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoacetate
CID 63603542
3-(2-ethyl-3-oxopiperazine-1-carbonyl)benzonitrile
CID 63600980
3-ethyl-4-[2-(methylamino)benzoyl]piperazin-2-one
CID 63604913

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-6-methylbenzoyl)-3-ethylpiperazin-2-one?
The IUPAC name of 4-(2-amino-6-methylbenzoyl)-3-ethylpiperazin-2-one (CID 63601793) is 4-(2-amino-6-methylbenzoyl)-3-ethylpiperazin-2-one.
What is the SMILES notation for 4-(2-amino-6-methylbenzoyl)-3-ethylpiperazin-2-one?
The canonical SMILES for 4-(2-amino-6-methylbenzoyl)-3-ethylpiperazin-2-one is CCC1C(=O)NCCN1C(=O)c1c(C)cccc1N.
What is the InChIKey of 4-(2-amino-6-methylbenzoyl)-3-ethylpiperazin-2-one?
The InChIKey is RFONRTFONXYDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-3-11-13(18)16-7-8-17(11)14(19)12-9(2)5-4-6-10(12)15/h4-6,11H,3,7-8,15H2,1-2H3,(H,16,18).
What are the key properties of 4-(2-amino-6-methylbenzoyl)-3-ethylpiperazin-2-one?
4-(2-amino-6-methylbenzoyl)-3-ethylpiperazin-2-one has a molecular weight of 261.32 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-6-methylbenzoyl)-3-ethylpiperazin-2-one is sourced from PubChem (CID 63601793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).