1-[2-(2,4-dimethylphenyl)-2-(methylamino)ethyl]-4-methylpiperazine-2,5-dione

C16H23N3O2 — CID 79936977

IUPAC1-[2-(2,4-dimethylphenyl)-2-(methylamino)ethyl]-4-methylpiperazine-2,5-dione
SMILESCNC(CN1CC(=O)N(C)CC1=O)c1ccc(C)cc1C
InChIInChI=1S/C16H23N3O2/c1-11-5-6-13(12(2)7-11)14(17-3)8-19-10-15(20)18(4)9-16(19)21/h5-7,14,17H,8-10H2,1-4H3
InChIKeyQNJMGCONBUGZMS-UHFFFAOYSA-N
MW289.38 g/mol
LogP0.86
Rot. Bonds4

About 1-[2-(2,4-dimethylphenyl)-2-(methylamino)ethyl]-4-methylpiperazine-2,5-dione

1-[2-(2,4-dimethylphenyl)-2-(methylamino)ethyl]-4-methylpiperazine-2,5-dione (PubChem CID 79936977) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-[2-(2,4-dimethylphenyl)-2-(methylamino)ethyl]-4-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[2-(2,4-dimethylphenyl)-2-(methylamino)ethyl]-4-methylpiperazine-2,5-dione
PubChem CID79936977
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-[2-(2,4-dimethylphenyl)-2-(methylamino)ethyl]-4-methylpiperazine-2,5-dione
SMILESCNC(CN1CC(=O)N(C)CC1=O)c1ccc(C)cc1C
InChIInChI=1S/C16H23N3O2/c1-11-5-6-13(12(2)7-11)14(17-3)8-19-10-15(20)18(4)9-16(19)21/h5-7,14,17H,8-10H2,1-4H3
InChIKeyQNJMGCONBUGZMS-UHFFFAOYSA-N
XLogP0.86
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-[2-(methylamino)-2-phenylethyl]piperazine-2,5-dione
CID 79936590
1-(2,4-dimethylphenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methylethanamine
CID 83227091
1-(2,4-dimethylphenyl)-N-methyl-2-(1-methylpyrazol-4-yl)sulfanylethanamine
CID 64628158
1-(2,4-dimethylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]-N-methylethanamine
CID 63972298
1-(2,4-dimethylphenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine
CID 63508884
3-cyclopentyl-1-(2,4-dimethylphenyl)-N-methylpropan-1-amine
CID 43482676
1-[2-amino-2-(2,4-difluorophenyl)ethyl]-4-methylpiperazine-2,5-dione
CID 107522881
1-ethyl-4-[2-(methylamino)-2-phenylethyl]piperazine-2,5-dione
CID 79936916
2-(2,4-dimethylphenyl)-2-(methylamino)acetaldehyde
CID 116954143
1-(2,4-dimethylphenyl)-N-methylundecan-1-amine
CID 115845807
methyl 4-(2,4-dimethylphenyl)-4-(methylamino)butanoate
CID 116955511
1-(2,4-dimethylphenyl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030633

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dimethylphenyl)-2-(methylamino)ethyl]-4-methylpiperazine-2,5-dione?
The IUPAC name of 1-[2-(2,4-dimethylphenyl)-2-(methylamino)ethyl]-4-methylpiperazine-2,5-dione (CID 79936977) is 1-[2-(2,4-dimethylphenyl)-2-(methylamino)ethyl]-4-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-[2-(2,4-dimethylphenyl)-2-(methylamino)ethyl]-4-methylpiperazine-2,5-dione?
The canonical SMILES for 1-[2-(2,4-dimethylphenyl)-2-(methylamino)ethyl]-4-methylpiperazine-2,5-dione is CNC(CN1CC(=O)N(C)CC1=O)c1ccc(C)cc1C.
What is the InChIKey of 1-[2-(2,4-dimethylphenyl)-2-(methylamino)ethyl]-4-methylpiperazine-2,5-dione?
The InChIKey is QNJMGCONBUGZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11-5-6-13(12(2)7-11)14(17-3)8-19-10-15(20)18(4)9-16(19)21/h5-7,14,17H,8-10H2,1-4H3.
What are the key properties of 1-[2-(2,4-dimethylphenyl)-2-(methylamino)ethyl]-4-methylpiperazine-2,5-dione?
1-[2-(2,4-dimethylphenyl)-2-(methylamino)ethyl]-4-methylpiperazine-2,5-dione has a molecular weight of 289.38 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dimethylphenyl)-2-(methylamino)ethyl]-4-methylpiperazine-2,5-dione is sourced from PubChem (CID 79936977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).