3-ethyl-4-[5-methyl-2-(methylamino)benzoyl]piperazin-2-one

C15H21N3O2 — CID 63604617

IUPAC3-ethyl-4-[5-methyl-2-(methylamino)benzoyl]piperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)c1cc(C)ccc1NC
InChIInChI=1S/C15H21N3O2/c1-4-13-14(19)17-7-8-18(13)15(20)11-9-10(2)5-6-12(11)16-3/h5-6,9,13,16H,4,7-8H2,1-3H3,(H,17,19)
InChIKeyXPLCJDVTOLOCED-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.39
Rot. Bonds3

About 3-ethyl-4-[5-methyl-2-(methylamino)benzoyl]piperazin-2-one

3-ethyl-4-[5-methyl-2-(methylamino)benzoyl]piperazin-2-one (PubChem CID 63604617) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-ethyl-4-[5-methyl-2-(methylamino)benzoyl]piperazin-2-one.

Molecular Properties

Compound Name3-ethyl-4-[5-methyl-2-(methylamino)benzoyl]piperazin-2-one
PubChem CID63604617
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name3-ethyl-4-[5-methyl-2-(methylamino)benzoyl]piperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)c1cc(C)ccc1NC
InChIInChI=1S/C15H21N3O2/c1-4-13-14(19)17-7-8-18(13)15(20)11-9-10(2)5-6-12(11)16-3/h5-6,9,13,16H,4,7-8H2,1-3H3,(H,17,19)
InChIKeyXPLCJDVTOLOCED-UHFFFAOYSA-N
XLogP1.39
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.39
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-(2-hydrazinyl-5-methylbenzoyl)piperazine-2,6-dione
CID 66067067
4-(2,5-dimethylthiophene-3-carbonyl)-3-ethylpiperazin-2-one
CID 63601701
4-(1,5-dimethylindole-2-carbonyl)-3-ethylpiperazin-2-one
CID 46980097
3-ethyl-4-[3-fluoro-2-(methylamino)benzoyl]piperazin-2-one
CID 63604442
2-[1-(2-hydroxy-5-methylbenzoyl)-3-oxopiperazin-2-yl]acetic acid
CID 62034046
4-(2-chloro-5-sulfanylbenzoyl)-3-ethylpiperazin-2-one
CID 107029813
4-(2,4-dibromobenzoyl)-3-ethylpiperazin-2-one
CID 103882803
3-ethyl-4-(4-hydrazinyl-6-methylpyridine-3-carbonyl)piperazin-2-one
CID 81249127
(3-ethylmorpholin-4-yl)-[5-methyl-2-(methylamino)phenyl]methanone
CID 55083039
3-ethyl-4-(2-methyl-5-nitrobenzoyl)piperazin-2-one
CID 63602604

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-[5-methyl-2-(methylamino)benzoyl]piperazin-2-one?
The IUPAC name of 3-ethyl-4-[5-methyl-2-(methylamino)benzoyl]piperazin-2-one (CID 63604617) is 3-ethyl-4-[5-methyl-2-(methylamino)benzoyl]piperazin-2-one.
What is the SMILES notation for 3-ethyl-4-[5-methyl-2-(methylamino)benzoyl]piperazin-2-one?
The canonical SMILES for 3-ethyl-4-[5-methyl-2-(methylamino)benzoyl]piperazin-2-one is CCC1C(=O)NCCN1C(=O)c1cc(C)ccc1NC.
What is the InChIKey of 3-ethyl-4-[5-methyl-2-(methylamino)benzoyl]piperazin-2-one?
The InChIKey is XPLCJDVTOLOCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-4-13-14(19)17-7-8-18(13)15(20)11-9-10(2)5-6-12(11)16-3/h5-6,9,13,16H,4,7-8H2,1-3H3,(H,17,19).
What are the key properties of 3-ethyl-4-[5-methyl-2-(methylamino)benzoyl]piperazin-2-one?
3-ethyl-4-[5-methyl-2-(methylamino)benzoyl]piperazin-2-one has a molecular weight of 275.35 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[5-methyl-2-(methylamino)benzoyl]piperazin-2-one is sourced from PubChem (CID 63604617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).