1,4-dimethylpiperazine-2,5-dione;1-methylpiperazine-2,5-dione

C11H18N4O4 — CID 19808084

IUPAC1,4-dimethylpiperazine-2,5-dione;1-methylpiperazine-2,5-dione
SMILESCN1CC(=O)N(C)CC1=O.CN1CC(=O)NCC1=O
InChIInChI=1S/C6H10N2O2.C5H8N2O2/c1-7-3-6(10)8(2)4-5(7)9;1-7-3-4(8)6-2-5(7)9/h3-4H2,1-2H3;2-3H2,1H3,(H,6,8)
InChIKeyITSFVNSNEZZYJT-UHFFFAOYSA-N
MW270.29 g/mol
LogP-2.51
Rot. Bonds

About 1,4-dimethylpiperazine-2,5-dione;1-methylpiperazine-2,5-dione

1,4-dimethylpiperazine-2,5-dione;1-methylpiperazine-2,5-dione (PubChem CID 19808084) has the molecular formula C11H18N4O4 and a molecular weight of 270.29 g/mol. Its IUPAC name is 1,4-dimethylpiperazine-2,5-dione;1-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1,4-dimethylpiperazine-2,5-dione;1-methylpiperazine-2,5-dione
PubChem CID19808084
Molecular FormulaC11H18N4O4
Molecular Weight270.29 g/mol
Exact Mass270.13
IUPAC Name1,4-dimethylpiperazine-2,5-dione;1-methylpiperazine-2,5-dione
SMILESCN1CC(=O)N(C)CC1=O.CN1CC(=O)NCC1=O
InChIInChI=1S/C6H10N2O2.C5H8N2O2/c1-7-3-6(10)8(2)4-5(7)9;1-7-3-4(8)6-2-5(7)9/h3-4H2,1-2H3;2-3H2,1H3,(H,6,8)
InChIKeyITSFVNSNEZZYJT-UHFFFAOYSA-N
XLogP-2.51
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 5-2.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylpiperazine-2,5-dione;1-methylpiperazine-2,5-dione?
The IUPAC name of 1,4-dimethylpiperazine-2,5-dione;1-methylpiperazine-2,5-dione (CID 19808084) is 1,4-dimethylpiperazine-2,5-dione;1-methylpiperazine-2,5-dione.
What is the SMILES notation for 1,4-dimethylpiperazine-2,5-dione;1-methylpiperazine-2,5-dione?
The canonical SMILES for 1,4-dimethylpiperazine-2,5-dione;1-methylpiperazine-2,5-dione is CN1CC(=O)N(C)CC1=O.CN1CC(=O)NCC1=O.
What is the InChIKey of 1,4-dimethylpiperazine-2,5-dione;1-methylpiperazine-2,5-dione?
The InChIKey is ITSFVNSNEZZYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2.C5H8N2O2/c1-7-3-6(10)8(2)4-5(7)9;1-7-3-4(8)6-2-5(7)9/h3-4H2,1-2H3;2-3H2,1H3,(H,6,8).
What are the key properties of 1,4-dimethylpiperazine-2,5-dione;1-methylpiperazine-2,5-dione?
1,4-dimethylpiperazine-2,5-dione;1-methylpiperazine-2,5-dione has a molecular weight of 270.29 g/mol, XLogP of -2.51, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylpiperazine-2,5-dione;1-methylpiperazine-2,5-dione is sourced from PubChem (CID 19808084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).