1-[4-(dimethylamino)phenyl]-3,6-diethylpiperazine-2,5-dione

C16H23N3O2 — CID 64960932

IUPAC1-[4-(dimethylamino)phenyl]-3,6-diethylpiperazine-2,5-dione
SMILESCCC1NC(=O)C(CC)N(c2ccc(N(C)C)cc2)C1=O
InChIInChI=1S/C16H23N3O2/c1-5-13-16(21)19(14(6-2)15(20)17-13)12-9-7-11(8-10-12)18(3)4/h7-10,13-14H,5-6H2,1-4H3,(H,17,20)
InChIKeyPOPIZTXDRUODSA-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.77
Rot. Bonds4

About 1-[4-(dimethylamino)phenyl]-3,6-diethylpiperazine-2,5-dione

1-[4-(dimethylamino)phenyl]-3,6-diethylpiperazine-2,5-dione (PubChem CID 64960932) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-[4-(dimethylamino)phenyl]-3,6-diethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[4-(dimethylamino)phenyl]-3,6-diethylpiperazine-2,5-dione
PubChem CID64960932
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-[4-(dimethylamino)phenyl]-3,6-diethylpiperazine-2,5-dione
SMILESCCC1NC(=O)C(CC)N(c2ccc(N(C)C)cc2)C1=O
InChIInChI=1S/C16H23N3O2/c1-5-13-16(21)19(14(6-2)15(20)17-13)12-9-7-11(8-10-12)18(3)4/h7-10,13-14H,5-6H2,1-4H3,(H,17,20)
InChIKeyPOPIZTXDRUODSA-UHFFFAOYSA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[4-(dimethylamino)phenyl]-3,6-diethylpiperazine-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

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)phenyl]-3,6-diethylpiperazine-2,5-dione?
The IUPAC name of 1-[4-(dimethylamino)phenyl]-3,6-diethylpiperazine-2,5-dione (CID 64960932) is 1-[4-(dimethylamino)phenyl]-3,6-diethylpiperazine-2,5-dione.
What is the SMILES notation for 1-[4-(dimethylamino)phenyl]-3,6-diethylpiperazine-2,5-dione?
The canonical SMILES for 1-[4-(dimethylamino)phenyl]-3,6-diethylpiperazine-2,5-dione is CCC1NC(=O)C(CC)N(c2ccc(N(C)C)cc2)C1=O.
What is the InChIKey of 1-[4-(dimethylamino)phenyl]-3,6-diethylpiperazine-2,5-dione?
The InChIKey is POPIZTXDRUODSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-5-13-16(21)19(14(6-2)15(20)17-13)12-9-7-11(8-10-12)18(3)4/h7-10,13-14H,5-6H2,1-4H3,(H,17,20).
What are the key properties of 1-[4-(dimethylamino)phenyl]-3,6-diethylpiperazine-2,5-dione?
1-[4-(dimethylamino)phenyl]-3,6-diethylpiperazine-2,5-dione has a molecular weight of 289.38 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)phenyl]-3,6-diethylpiperazine-2,5-dione is sourced from PubChem (CID 64960932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).