1-(3,4-dimethylphenyl)-3,6-diethyl-3-methylpiperazine-2,5-dione

C17H24N2O2 — CID 64958611

IUPAC1-(3,4-dimethylphenyl)-3,6-diethyl-3-methylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C)(CC)C(=O)N1c1ccc(C)c(C)c1
InChIInChI=1S/C17H24N2O2/c1-6-14-15(20)18-17(5,7-2)16(21)19(14)13-9-8-11(3)12(4)10-13/h8-10,14H,6-7H2,1-5H3,(H,18,20)
InChIKeyNMYPPXDQZVDJQJ-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.71
Rot. Bonds3

About 1-(3,4-dimethylphenyl)-3,6-diethyl-3-methylpiperazine-2,5-dione

1-(3,4-dimethylphenyl)-3,6-diethyl-3-methylpiperazine-2,5-dione (PubChem CID 64958611) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-3,6-diethyl-3-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-3,6-diethyl-3-methylpiperazine-2,5-dione
PubChem CID64958611
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-(3,4-dimethylphenyl)-3,6-diethyl-3-methylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C)(CC)C(=O)N1c1ccc(C)c(C)c1
InChIInChI=1S/C17H24N2O2/c1-6-14-15(20)18-17(5,7-2)16(21)19(14)13-9-8-11(3)12(4)10-13/h8-10,14H,6-7H2,1-5H3,(H,18,20)
InChIKeyNMYPPXDQZVDJQJ-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-3,6-diethyl-3-methylpiperazine-2,5-dione?
The IUPAC name of 1-(3,4-dimethylphenyl)-3,6-diethyl-3-methylpiperazine-2,5-dione (CID 64958611) is 1-(3,4-dimethylphenyl)-3,6-diethyl-3-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-3,6-diethyl-3-methylpiperazine-2,5-dione?
The canonical SMILES for 1-(3,4-dimethylphenyl)-3,6-diethyl-3-methylpiperazine-2,5-dione is CCC1C(=O)NC(C)(CC)C(=O)N1c1ccc(C)c(C)c1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-3,6-diethyl-3-methylpiperazine-2,5-dione?
The InChIKey is NMYPPXDQZVDJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-6-14-15(20)18-17(5,7-2)16(21)19(14)13-9-8-11(3)12(4)10-13/h8-10,14H,6-7H2,1-5H3,(H,18,20).
What are the key properties of 1-(3,4-dimethylphenyl)-3,6-diethyl-3-methylpiperazine-2,5-dione?
1-(3,4-dimethylphenyl)-3,6-diethyl-3-methylpiperazine-2,5-dione has a molecular weight of 288.39 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-3,6-diethyl-3-methylpiperazine-2,5-dione is sourced from PubChem (CID 64958611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).