1-(4-bromophenyl)-6-ethyl-3-(2-methylpropyl)piperazine-2,5-dione

C16H21BrN2O2 — CID 64962593

IUPAC1-(4-bromophenyl)-6-ethyl-3-(2-methylpropyl)piperazine-2,5-dione
SMILESCCC1C(=O)NC(CC(C)C)C(=O)N1c1ccc(Br)cc1
InChIInChI=1S/C16H21BrN2O2/c1-4-14-15(20)18-13(9-10(2)3)16(21)19(14)12-7-5-11(17)6-8-12/h5-8,10,13-14H,4,9H2,1-3H3,(H,18,20)
InChIKeyHVMLGNRGGCQIKG-UHFFFAOYSA-N
MW353.26 g/mol
LogP3.11
Rot. Bonds4

About 1-(4-bromophenyl)-6-ethyl-3-(2-methylpropyl)piperazine-2,5-dione

1-(4-bromophenyl)-6-ethyl-3-(2-methylpropyl)piperazine-2,5-dione (PubChem CID 64962593) has the molecular formula C16H21BrN2O2 and a molecular weight of 353.26 g/mol. Its IUPAC name is 1-(4-bromophenyl)-6-ethyl-3-(2-methylpropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-(4-bromophenyl)-6-ethyl-3-(2-methylpropyl)piperazine-2,5-dione
PubChem CID64962593
Molecular FormulaC16H21BrN2O2
Molecular Weight353.26 g/mol
Exact Mass352.08
IUPAC Name1-(4-bromophenyl)-6-ethyl-3-(2-methylpropyl)piperazine-2,5-dione
SMILESCCC1C(=O)NC(CC(C)C)C(=O)N1c1ccc(Br)cc1
InChIInChI=1S/C16H21BrN2O2/c1-4-14-15(20)18-13(9-10(2)3)16(21)19(14)12-7-5-11(17)6-8-12/h5-8,10,13-14H,4,9H2,1-3H3,(H,18,20)
InChIKeyHVMLGNRGGCQIKG-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-ethyl-1-(1-ethylpyrazol-4-yl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64961135
3,6-diethyl-1-(4-methylsulfanylphenyl)piperazine-2,5-dione
CID 64962224
1-[4-(dimethylamino)phenyl]-3,6-diethylpiperazine-2,5-dione
CID 64960932
6-ethyl-1-(4-fluorophenyl)-3-propylpiperazine-2,5-dione
CID 64957506
1-[1-(4-bromophenyl)ethyl]-3,6-diethylpiperazine-2,5-dione
CID 64965367
1-(2,4-dibromophenyl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 64965232
1-(3-bromo-5-methoxyphenyl)-3,6-diethylpiperazine-2,5-dione
CID 82859302
6-ethyl-1-(3-methylbut-2-enyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 107902162
1-(4-bromophenyl)-6-methyl-3-propylpiperazine-2,5-dione
CID 64962386
1-(4-bromo-2-chlorophenyl)-3,6-diethylpiperazine-2,5-dione
CID 64963355
6-ethyl-1-(2-methylpentan-3-yl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64964823
3,6-diethyl-1-(3-fluoro-4-methylphenyl)piperazine-2,5-dione
CID 64957876

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-6-ethyl-3-(2-methylpropyl)piperazine-2,5-dione?
The IUPAC name of 1-(4-bromophenyl)-6-ethyl-3-(2-methylpropyl)piperazine-2,5-dione (CID 64962593) is 1-(4-bromophenyl)-6-ethyl-3-(2-methylpropyl)piperazine-2,5-dione.
What is the SMILES notation for 1-(4-bromophenyl)-6-ethyl-3-(2-methylpropyl)piperazine-2,5-dione?
The canonical SMILES for 1-(4-bromophenyl)-6-ethyl-3-(2-methylpropyl)piperazine-2,5-dione is CCC1C(=O)NC(CC(C)C)C(=O)N1c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-6-ethyl-3-(2-methylpropyl)piperazine-2,5-dione?
The InChIKey is HVMLGNRGGCQIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O2/c1-4-14-15(20)18-13(9-10(2)3)16(21)19(14)12-7-5-11(17)6-8-12/h5-8,10,13-14H,4,9H2,1-3H3,(H,18,20).
What are the key properties of 1-(4-bromophenyl)-6-ethyl-3-(2-methylpropyl)piperazine-2,5-dione?
1-(4-bromophenyl)-6-ethyl-3-(2-methylpropyl)piperazine-2,5-dione has a molecular weight of 353.26 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-6-ethyl-3-(2-methylpropyl)piperazine-2,5-dione is sourced from PubChem (CID 64962593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).