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'}

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Related Compounds

3,6-diethyl-1-(3-fluoro-4-methylphenyl)piperazine-2,5-dione
CID 64957876
6-ethyl-1-(4-fluorophenyl)-3-propylpiperazine-2,5-dione
CID 64957506
1-(3-chloro-4-fluorophenyl)-3,6-diethylpiperazine-2,5-dione
CID 64962986
1-(4-bromophenyl)-6-ethyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 64962593
3,6-diethyl-1-(4-fluoro-3-methoxyphenyl)piperazine-2,5-dione
CID 114840985
1-(3-bromo-5-methoxyphenyl)-3,6-diethylpiperazine-2,5-dione
CID 82859302
3-tert-butyl-6-ethyl-1-phenylpiperazine-2,5-dione
CID 64958766
1-(4-tert-butylphenyl)-3-ethyl-6-methylpiperazine-2,5-dione
CID 64956453
1-(4-chloro-2-fluorophenyl)-3,6-diethylpiperazine-2,5-dione
CID 64965262
1-(5-chloro-2-methylphenyl)-3,6-diethylpiperazine-2,5-dione
CID 64961428
3-ethyl-6-methyl-1-(4-methylsulfanylphenyl)piperazine-2,5-dione
CID 64962189
6-ethyl-3-propyl-1-pyrimidin-5-ylpiperazine-2,5-dione
CID 107590252

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).