1-[4-(dimethylamino)phenyl]piperazine-2,5-dione

C12H15N3O2 — CID 64955126

IUPAC1-[4-(dimethylamino)phenyl]piperazine-2,5-dione
SMILESCN(C)c1ccc(N2CC(=O)NCC2=O)cc1
InChIInChI=1S/C12H15N3O2/c1-14(2)9-3-5-10(6-4-9)15-8-11(16)13-7-12(15)17/h3-6H,7-8H2,1-2H3,(H,13,16)
InChIKeyWIFHLJHONQTHFT-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.22
Rot. Bonds2

About 1-[4-(dimethylamino)phenyl]piperazine-2,5-dione

1-[4-(dimethylamino)phenyl]piperazine-2,5-dione (PubChem CID 64955126) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-[4-(dimethylamino)phenyl]piperazine-2,5-dione.

Molecular Properties

Compound Name1-[4-(dimethylamino)phenyl]piperazine-2,5-dione
PubChem CID64955126
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name1-[4-(dimethylamino)phenyl]piperazine-2,5-dione
SMILESCN(C)c1ccc(N2CC(=O)NCC2=O)cc1
InChIInChI=1S/C12H15N3O2/c1-14(2)9-3-5-10(6-4-9)15-8-11(16)13-7-12(15)17/h3-6H,7-8H2,1-2H3,(H,13,16)
InChIKeyWIFHLJHONQTHFT-UHFFFAOYSA-N
XLogP0.22
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)phenyl]piperazine-2,5-dione?
The IUPAC name of 1-[4-(dimethylamino)phenyl]piperazine-2,5-dione (CID 64955126) is 1-[4-(dimethylamino)phenyl]piperazine-2,5-dione.
What is the SMILES notation for 1-[4-(dimethylamino)phenyl]piperazine-2,5-dione?
The canonical SMILES for 1-[4-(dimethylamino)phenyl]piperazine-2,5-dione is CN(C)c1ccc(N2CC(=O)NCC2=O)cc1.
What is the InChIKey of 1-[4-(dimethylamino)phenyl]piperazine-2,5-dione?
The InChIKey is WIFHLJHONQTHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-14(2)9-3-5-10(6-4-9)15-8-11(16)13-7-12(15)17/h3-6H,7-8H2,1-2H3,(H,13,16).
What are the key properties of 1-[4-(dimethylamino)phenyl]piperazine-2,5-dione?
1-[4-(dimethylamino)phenyl]piperazine-2,5-dione has a molecular weight of 233.27 g/mol, XLogP of 0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)phenyl]piperazine-2,5-dione is sourced from PubChem (CID 64955126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).