3-methyl-4-[2-[2-(methylamino)ethyl]benzoyl]piperazine-2,6-dione

C15H19N3O3 — CID 104548056

IUPAC3-methyl-4-[2-[2-(methylamino)ethyl]benzoyl]piperazine-2,6-dione
SMILESCNCCc1ccccc1C(=O)N1CC(=O)NC(=O)C1C
InChIInChI=1S/C15H19N3O3/c1-10-14(20)17-13(19)9-18(10)15(21)12-6-4-3-5-11(12)7-8-16-2/h3-6,10,16H,7-9H2,1-2H3,(H,17,19,20)
InChIKeyZWNAHZRGOLPZPA-UHFFFAOYSA-N
MW289.33 g/mol
LogP-0.06
Rot. Bonds4

About 3-methyl-4-[2-[2-(methylamino)ethyl]benzoyl]piperazine-2,6-dione

3-methyl-4-[2-[2-(methylamino)ethyl]benzoyl]piperazine-2,6-dione (PubChem CID 104548056) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 3-methyl-4-[2-[2-(methylamino)ethyl]benzoyl]piperazine-2,6-dione.

Molecular Properties

Compound Name3-methyl-4-[2-[2-(methylamino)ethyl]benzoyl]piperazine-2,6-dione
PubChem CID104548056
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name3-methyl-4-[2-[2-(methylamino)ethyl]benzoyl]piperazine-2,6-dione
SMILESCNCCc1ccccc1C(=O)N1CC(=O)NC(=O)C1C
InChIInChI=1S/C15H19N3O3/c1-10-14(20)17-13(19)9-18(10)15(21)12-6-4-3-5-11(12)7-8-16-2/h3-6,10,16H,7-9H2,1-2H3,(H,17,19,20)
InChIKeyZWNAHZRGOLPZPA-UHFFFAOYSA-N
XLogP-0.06
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(2-hydroxyphenyl)propanoyl]-3-methylpiperazine-2,6-dione
CID 66061914
[2-[2-(methylamino)ethyl]phenyl]-[(3R)-3-methylmorpholin-4-yl]methanone
CID 106774377
2-azabicyclo[2.2.1]heptan-2-yl-[2-[2-(methylamino)ethyl]phenyl]methanone
CID 104547762
3-methyl-4-[4-(methylamino)pyridine-3-carbonyl]piperazine-2,6-dione
CID 81244952
(2S,4S)-4-hydroxy-1-[2-[2-(methylamino)ethyl]benzoyl]pyrrolidine-2-carboxylic acid
CID 104547992
N-methyl-1-[2-[2-(methylamino)ethyl]benzoyl]pyrrolidine-2-carboxamide
CID 104547616
4-(2,4-dimethylbenzoyl)-3-methylpiperazine-2,6-dione
CID 66061744
4-(2,5-dichlorobenzoyl)-3-methylpiperazine-2,6-dione
CID 66061958
3,3-dimethyl-4-[2-[2-(methylamino)ethyl]benzoyl]piperazin-2-one
CID 104547897
4-(2,6-dichlorobenzoyl)-3-methylpiperazine-2,6-dione
CID 66062103
(3-ethyl-3-hydroxyazetidin-1-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone
CID 107219676
4-(2,5-difluorobenzoyl)-3-methylpiperazine-2,6-dione
CID 66063081

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[2-[2-(methylamino)ethyl]benzoyl]piperazine-2,6-dione?
The IUPAC name of 3-methyl-4-[2-[2-(methylamino)ethyl]benzoyl]piperazine-2,6-dione (CID 104548056) is 3-methyl-4-[2-[2-(methylamino)ethyl]benzoyl]piperazine-2,6-dione.
What is the SMILES notation for 3-methyl-4-[2-[2-(methylamino)ethyl]benzoyl]piperazine-2,6-dione?
The canonical SMILES for 3-methyl-4-[2-[2-(methylamino)ethyl]benzoyl]piperazine-2,6-dione is CNCCc1ccccc1C(=O)N1CC(=O)NC(=O)C1C.
What is the InChIKey of 3-methyl-4-[2-[2-(methylamino)ethyl]benzoyl]piperazine-2,6-dione?
The InChIKey is ZWNAHZRGOLPZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-10-14(20)17-13(19)9-18(10)15(21)12-6-4-3-5-11(12)7-8-16-2/h3-6,10,16H,7-9H2,1-2H3,(H,17,19,20).
What are the key properties of 3-methyl-4-[2-[2-(methylamino)ethyl]benzoyl]piperazine-2,6-dione?
3-methyl-4-[2-[2-(methylamino)ethyl]benzoyl]piperazine-2,6-dione has a molecular weight of 289.33 g/mol, XLogP of -0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[2-[2-(methylamino)ethyl]benzoyl]piperazine-2,6-dione is sourced from PubChem (CID 104548056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).