1-[(4-bromothiophen-2-yl)methyl]-3-ethyl-6-(2-methylpropyl)piperazine-2,5-dione

C15H21BrN2O2S — CID 64902612

IUPAC1-[(4-bromothiophen-2-yl)methyl]-3-ethyl-6-(2-methylpropyl)piperazine-2,5-dione
SMILESCCC1NC(=O)C(CC(C)C)N(Cc2cc(Br)cs2)C1=O
InChIInChI=1S/C15H21BrN2O2S/c1-4-12-15(20)18(7-11-6-10(16)8-21-11)13(5-9(2)3)14(19)17-12/h6,8-9,12-13H,4-5,7H2,1-3H3,(H,17,19)
InChIKeyUBRZXCHYNNQUBE-UHFFFAOYSA-N
MW373.32 g/mol
LogP3.16
Rot. Bonds5

About 1-[(4-bromothiophen-2-yl)methyl]-3-ethyl-6-(2-methylpropyl)piperazine-2,5-dione

1-[(4-bromothiophen-2-yl)methyl]-3-ethyl-6-(2-methylpropyl)piperazine-2,5-dione (PubChem CID 64902612) has the molecular formula C15H21BrN2O2S and a molecular weight of 373.32 g/mol. Its IUPAC name is 1-[(4-bromothiophen-2-yl)methyl]-3-ethyl-6-(2-methylpropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-[(4-bromothiophen-2-yl)methyl]-3-ethyl-6-(2-methylpropyl)piperazine-2,5-dione
PubChem CID64902612
Molecular FormulaC15H21BrN2O2S
Molecular Weight373.32 g/mol
Exact Mass372.05
IUPAC Name1-[(4-bromothiophen-2-yl)methyl]-3-ethyl-6-(2-methylpropyl)piperazine-2,5-dione
SMILESCCC1NC(=O)C(CC(C)C)N(Cc2cc(Br)cs2)C1=O
InChIInChI=1S/C15H21BrN2O2S/c1-4-12-15(20)18(7-11-6-10(16)8-21-11)13(5-9(2)3)14(19)17-12/h6,8-9,12-13H,4-5,7H2,1-3H3,(H,17,19)
InChIKeyUBRZXCHYNNQUBE-UHFFFAOYSA-N
XLogP3.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.32
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-bromothiophen-2-yl)methyl]-6-butan-2-yl-3-ethylpiperazine-2,5-dione
CID 64902609
1-[(4-bromothiophen-2-yl)methyl]-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 64901145
1,3-diethyl-6-(2-methylpropyl)piperazine-2,5-dione
CID 64902229
1-[(4-bromothiophen-2-yl)methyl]-3-tert-butyl-6-ethylpiperazine-2,5-dione
CID 64903034
3-ethyl-6-(2-methylpropyl)-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione
CID 64903189
3-ethyl-6-(2-methylpropyl)-1-pentylpiperazine-2,5-dione
CID 64901650
1,3,6-tris(2-methylpropyl)piperazine-2,5-dione
CID 64902684
1-[(3-bromothiophen-2-yl)methyl]-3-methyl-6-(2-methylpropyl)piperazine-2,5-dione
CID 64874137
3-cyclopropyl-6-(2-methylpropyl)-1-(thiophen-2-ylmethyl)piperazine-2,5-dione
CID 64885635
3,6-diethyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazine-2,5-dione
CID 64966389
1-(3-methylbutyl)-3,6-bis(2-methylpropyl)piperazine-2,5-dione
CID 64902109
1-butyl-6-(2-methylpropyl)-3-propylpiperazine-2,5-dione
CID 64873181

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromothiophen-2-yl)methyl]-3-ethyl-6-(2-methylpropyl)piperazine-2,5-dione?
The IUPAC name of 1-[(4-bromothiophen-2-yl)methyl]-3-ethyl-6-(2-methylpropyl)piperazine-2,5-dione (CID 64902612) is 1-[(4-bromothiophen-2-yl)methyl]-3-ethyl-6-(2-methylpropyl)piperazine-2,5-dione.
What is the SMILES notation for 1-[(4-bromothiophen-2-yl)methyl]-3-ethyl-6-(2-methylpropyl)piperazine-2,5-dione?
The canonical SMILES for 1-[(4-bromothiophen-2-yl)methyl]-3-ethyl-6-(2-methylpropyl)piperazine-2,5-dione is CCC1NC(=O)C(CC(C)C)N(Cc2cc(Br)cs2)C1=O.
What is the InChIKey of 1-[(4-bromothiophen-2-yl)methyl]-3-ethyl-6-(2-methylpropyl)piperazine-2,5-dione?
The InChIKey is UBRZXCHYNNQUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2S/c1-4-12-15(20)18(7-11-6-10(16)8-21-11)13(5-9(2)3)14(19)17-12/h6,8-9,12-13H,4-5,7H2,1-3H3,(H,17,19).
What are the key properties of 1-[(4-bromothiophen-2-yl)methyl]-3-ethyl-6-(2-methylpropyl)piperazine-2,5-dione?
1-[(4-bromothiophen-2-yl)methyl]-3-ethyl-6-(2-methylpropyl)piperazine-2,5-dione has a molecular weight of 373.32 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromothiophen-2-yl)methyl]-3-ethyl-6-(2-methylpropyl)piperazine-2,5-dione is sourced from PubChem (CID 64902612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).