3-ethyl-6-methyl-1-[(2,4,6-trimethylphenyl)methyl]piperazine-2,5-dione

C17H24N2O2 — CID 64902972

IUPAC3-ethyl-6-methyl-1-[(2,4,6-trimethylphenyl)methyl]piperazine-2,5-dione
SMILESCCC1NC(=O)C(C)N(Cc2c(C)cc(C)cc2C)C1=O
InChIInChI=1S/C17H24N2O2/c1-6-15-17(21)19(13(5)16(20)18-15)9-14-11(3)7-10(2)8-12(14)4/h7-8,13,15H,6,9H2,1-5H3,(H,18,20)
InChIKeyMHAKGSMVIXCMPL-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.24
Rot. Bonds3

About 3-ethyl-6-methyl-1-[(2,4,6-trimethylphenyl)methyl]piperazine-2,5-dione

3-ethyl-6-methyl-1-[(2,4,6-trimethylphenyl)methyl]piperazine-2,5-dione (PubChem CID 64902972) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-ethyl-6-methyl-1-[(2,4,6-trimethylphenyl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-6-methyl-1-[(2,4,6-trimethylphenyl)methyl]piperazine-2,5-dione
PubChem CID64902972
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name3-ethyl-6-methyl-1-[(2,4,6-trimethylphenyl)methyl]piperazine-2,5-dione
SMILESCCC1NC(=O)C(C)N(Cc2c(C)cc(C)cc2C)C1=O
InChIInChI=1S/C17H24N2O2/c1-6-15-17(21)19(13(5)16(20)18-15)9-14-11(3)7-10(2)8-12(14)4/h7-8,13,15H,6,9H2,1-5H3,(H,18,20)
InChIKeyMHAKGSMVIXCMPL-UHFFFAOYSA-N
XLogP2.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-ethyl-6-methyl-1-[(2,4,6-trimethylphenyl)methyl]piperazine-2,5-dione 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

3-ethyl-1-[(3-methoxyphenyl)methyl]-6-methylpiperazine-2,5-dione
CID 64902779
3-ethyl-6-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-2,5-dione
CID 64967646
3-ethyl-6-methyl-1-(pyridin-2-ylmethyl)piperazine-2,5-dione
CID 64901440
3-ethyl-6-methyl-1-(2,2,2-trifluoroethyl)piperazine-2,5-dione
CID 64902587
3-ethyl-1-[(2-methoxyphenyl)methyl]-6-methylpiperazine-2,5-dione
CID 64902782
3-ethyl-6-methyl-1-(2-methylprop-2-enyl)piperazine-2,5-dione
CID 114619332
1-[(2,5-dimethylphenyl)methyl]-3,6-dimethylpiperazine-2,5-dione
CID 64873082
3-ethyl-1-(4-methoxy-2-methylphenyl)-6-methylpiperazine-2,5-dione
CID 64970204
3-ethyl-6-methyl-1-(5-methyl-3-pyridinyl)piperazine-2,5-dione
CID 107587018
3-ethyl-6-methyl-1-(4-phenylbutyl)piperazine-2,5-dione
CID 114334980
1-cyclopentyl-3-ethyl-6-methylpiperazine-2,5-dione
CID 64958453
3-ethyl-6-methyl-1-(2-propan-2-ylsulfonylethyl)piperazine-2,5-dione
CID 106733546

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-methyl-1-[(2,4,6-trimethylphenyl)methyl]piperazine-2,5-dione?
The IUPAC name of 3-ethyl-6-methyl-1-[(2,4,6-trimethylphenyl)methyl]piperazine-2,5-dione (CID 64902972) is 3-ethyl-6-methyl-1-[(2,4,6-trimethylphenyl)methyl]piperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-6-methyl-1-[(2,4,6-trimethylphenyl)methyl]piperazine-2,5-dione?
The canonical SMILES for 3-ethyl-6-methyl-1-[(2,4,6-trimethylphenyl)methyl]piperazine-2,5-dione is CCC1NC(=O)C(C)N(Cc2c(C)cc(C)cc2C)C1=O.
What is the InChIKey of 3-ethyl-6-methyl-1-[(2,4,6-trimethylphenyl)methyl]piperazine-2,5-dione?
The InChIKey is MHAKGSMVIXCMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-6-15-17(21)19(13(5)16(20)18-15)9-14-11(3)7-10(2)8-12(14)4/h7-8,13,15H,6,9H2,1-5H3,(H,18,20).
What are the key properties of 3-ethyl-6-methyl-1-[(2,4,6-trimethylphenyl)methyl]piperazine-2,5-dione?
3-ethyl-6-methyl-1-[(2,4,6-trimethylphenyl)methyl]piperazine-2,5-dione has a molecular weight of 288.39 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-methyl-1-[(2,4,6-trimethylphenyl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 64902972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).