1-[1-(4-bromophenyl)ethyl]-3,6-diethylpiperazine-2,5-dione

C16H21BrN2O2 — CID 64965367

IUPAC1-[1-(4-bromophenyl)ethyl]-3,6-diethylpiperazine-2,5-dione
SMILESCCC1NC(=O)C(CC)N(C(C)c2ccc(Br)cc2)C1=O
InChIInChI=1S/C16H21BrN2O2/c1-4-13-16(21)19(14(5-2)15(20)18-13)10(3)11-6-8-12(17)9-7-11/h6-10,13-14H,4-5H2,1-3H3,(H,18,20)
InChIKeyJPUGIJBKFIKXMD-UHFFFAOYSA-N
MW353.26 g/mol
LogP3.03
Rot. Bonds4

About 1-[1-(4-bromophenyl)ethyl]-3,6-diethylpiperazine-2,5-dione

1-[1-(4-bromophenyl)ethyl]-3,6-diethylpiperazine-2,5-dione (PubChem CID 64965367) has the molecular formula C16H21BrN2O2 and a molecular weight of 353.26 g/mol. Its IUPAC name is 1-[1-(4-bromophenyl)ethyl]-3,6-diethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[1-(4-bromophenyl)ethyl]-3,6-diethylpiperazine-2,5-dione
PubChem CID64965367
Molecular FormulaC16H21BrN2O2
Molecular Weight353.26 g/mol
Exact Mass352.08
IUPAC Name1-[1-(4-bromophenyl)ethyl]-3,6-diethylpiperazine-2,5-dione
SMILESCCC1NC(=O)C(CC)N(C(C)c2ccc(Br)cc2)C1=O
InChIInChI=1S/C16H21BrN2O2/c1-4-13-16(21)19(14(5-2)15(20)18-13)10(3)11-6-8-12(17)9-7-11/h6-10,13-14H,4-5H2,1-3H3,(H,18,20)
InChIKeyJPUGIJBKFIKXMD-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-ethyl-1-(1-phenylethyl)-3-propylpiperazine-2,5-dione
CID 64957677
1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3,6-diethylpiperazine-2,5-dione
CID 64965646
3,6-diethyl-1-[1-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione
CID 64973279
1-(4-bromophenyl)-6-ethyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 64962593
1-(4-bromo-2-chlorophenyl)-3,6-diethylpiperazine-2,5-dione
CID 64963355
5-ethyl-1-(1-phenylethyl)imidazolidine-2,4-dione
CID 150985688
1-(3-bromo-5-methoxyphenyl)-3,6-diethylpiperazine-2,5-dione
CID 82859302
1-[(4-bromophenyl)methyl]-3-cyclopropyl-6-ethylpiperazine-2,5-dione
CID 64885048
6-ethyl-1-(2-methylpentan-3-yl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64964823
1-(4-bromo-2,3-dichlorophenyl)-3,6-diethylpiperazine-2,5-dione
CID 107794472
1-[1-(4-bromophenyl)ethyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64965368
3-cyclopropyl-6-ethyl-1-[1-(5-methylfuran-2-yl)ethyl]piperazine-2,5-dione
CID 64965675

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-bromophenyl)ethyl]-3,6-diethylpiperazine-2,5-dione?
The IUPAC name of 1-[1-(4-bromophenyl)ethyl]-3,6-diethylpiperazine-2,5-dione (CID 64965367) is 1-[1-(4-bromophenyl)ethyl]-3,6-diethylpiperazine-2,5-dione.
What is the SMILES notation for 1-[1-(4-bromophenyl)ethyl]-3,6-diethylpiperazine-2,5-dione?
The canonical SMILES for 1-[1-(4-bromophenyl)ethyl]-3,6-diethylpiperazine-2,5-dione is CCC1NC(=O)C(CC)N(C(C)c2ccc(Br)cc2)C1=O.
What is the InChIKey of 1-[1-(4-bromophenyl)ethyl]-3,6-diethylpiperazine-2,5-dione?
The InChIKey is JPUGIJBKFIKXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O2/c1-4-13-16(21)19(14(5-2)15(20)18-13)10(3)11-6-8-12(17)9-7-11/h6-10,13-14H,4-5H2,1-3H3,(H,18,20).
What are the key properties of 1-[1-(4-bromophenyl)ethyl]-3,6-diethylpiperazine-2,5-dione?
1-[1-(4-bromophenyl)ethyl]-3,6-diethylpiperazine-2,5-dione has a molecular weight of 353.26 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-bromophenyl)ethyl]-3,6-diethylpiperazine-2,5-dione is sourced from PubChem (CID 64965367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).