1-(4-bromophenyl)-3,3,6-triethylpiperazine-2,5-dione

C16H21BrN2O2 — CID 64962532

IUPAC1-(4-bromophenyl)-3,3,6-triethylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(CC)(CC)C(=O)N1c1ccc(Br)cc1
InChIInChI=1S/C16H21BrN2O2/c1-4-13-14(20)18-16(5-2,6-3)15(21)19(13)12-9-7-11(17)8-10-12/h7-10,13H,4-6H2,1-3H3,(H,18,20)
InChIKeyNLSYCYDNNYZPTF-UHFFFAOYSA-N
MW353.26 g/mol
LogP3.25
Rot. Bonds4

About 1-(4-bromophenyl)-3,3,6-triethylpiperazine-2,5-dione

1-(4-bromophenyl)-3,3,6-triethylpiperazine-2,5-dione (PubChem CID 64962532) has the molecular formula C16H21BrN2O2 and a molecular weight of 353.26 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3,3,6-triethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(4-bromophenyl)-3,3,6-triethylpiperazine-2,5-dione
PubChem CID64962532
Molecular FormulaC16H21BrN2O2
Molecular Weight353.26 g/mol
Exact Mass352.08
IUPAC Name1-(4-bromophenyl)-3,3,6-triethylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(CC)(CC)C(=O)N1c1ccc(Br)cc1
InChIInChI=1S/C16H21BrN2O2/c1-4-13-14(20)18-16(5-2,6-3)15(21)19(13)12-9-7-11(17)8-10-12/h7-10,13H,4-6H2,1-3H3,(H,18,20)
InChIKeyNLSYCYDNNYZPTF-UHFFFAOYSA-N
XLogP3.25
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.26
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3,6-triethyl-1-(3-ethylpentan-3-yl)piperazine-2,5-dione
CID 65043214
1-[(3-bromothiophen-2-yl)methyl]-3,3,6-triethylpiperazine-2,5-dione
CID 64887113
1-(4-bromophenyl)-6-ethyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 64962593
1-(3,4-dimethylphenyl)-3,6-diethyl-3-methylpiperazine-2,5-dione
CID 64958611
3-cyclopropyl-6-ethyl-1-(4-fluorophenyl)-3-methylpiperazine-2,5-dione
CID 64957444
1-(3,4-dimethylphenyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione
CID 64958635
1-(5-bromo-2-fluorophenyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione
CID 64961092
1-(4-bromo-2-chlorophenyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione
CID 64963273
3-ethyl-4-phenyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64958744
3,3,6-triethyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine-2,5-dione
CID 106210995
1-(3,5-difluorophenyl)-3,3-diethyl-6-methylpiperazine-2,5-dione
CID 64958952
1-(3-chloro-4-fluorophenyl)-3,3-diethyl-6-methylpiperazine-2,5-dione
CID 64962881

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3,3,6-triethylpiperazine-2,5-dione?
The IUPAC name of 1-(4-bromophenyl)-3,3,6-triethylpiperazine-2,5-dione (CID 64962532) is 1-(4-bromophenyl)-3,3,6-triethylpiperazine-2,5-dione.
What is the SMILES notation for 1-(4-bromophenyl)-3,3,6-triethylpiperazine-2,5-dione?
The canonical SMILES for 1-(4-bromophenyl)-3,3,6-triethylpiperazine-2,5-dione is CCC1C(=O)NC(CC)(CC)C(=O)N1c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3,3,6-triethylpiperazine-2,5-dione?
The InChIKey is NLSYCYDNNYZPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O2/c1-4-13-14(20)18-16(5-2,6-3)15(21)19(13)12-9-7-11(17)8-10-12/h7-10,13H,4-6H2,1-3H3,(H,18,20).
What are the key properties of 1-(4-bromophenyl)-3,3,6-triethylpiperazine-2,5-dione?
1-(4-bromophenyl)-3,3,6-triethylpiperazine-2,5-dione has a molecular weight of 353.26 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3,3,6-triethylpiperazine-2,5-dione is sourced from PubChem (CID 64962532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).