1-[(4-bromothiophen-2-yl)methyl]-6-butan-2-yl-3-ethylpiperazine-2,5-dione

C15H21BrN2O2S — CID 64902609

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

About 1-[(4-bromothiophen-2-yl)methyl]-6-butan-2-yl-3-ethylpiperazine-2,5-dione

1-[(4-bromothiophen-2-yl)methyl]-6-butan-2-yl-3-ethylpiperazine-2,5-dione (PubChem CID 64902609) has the molecular formula C15H21BrN2O2S and a molecular weight of 373.32 g/mol. Its IUPAC name is 1-[(4-bromothiophen-2-yl)methyl]-6-butan-2-yl-3-ethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(4-bromothiophen-2-yl)methyl]-6-butan-2-yl-3-ethylpiperazine-2,5-dione
PubChem CID64902609
Molecular FormulaC15H21BrN2O2S
Molecular Weight373.32 g/mol
Exact Mass372.05
IUPAC Name1-[(4-bromothiophen-2-yl)methyl]-6-butan-2-yl-3-ethylpiperazine-2,5-dione
SMILESCCC1NC(=O)C(C(C)CC)N(Cc2cc(Br)cs2)C1=O
InChIInChI=1S/C15H21BrN2O2S/c1-4-9(3)13-14(19)17-12(5-2)15(20)18(13)7-11-6-10(16)8-21-11/h6,8-9,12-13H,4-5,7H2,1-3H3,(H,17,19)
InChIKeyLBMRPWLSUDNUQL-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

Analyze 1-[(4-bromothiophen-2-yl)methyl]-6-butan-2-yl-3-ethylpiperazine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-bromothiophen-2-yl)methyl]-3-ethyl-6-(2-methylpropyl)piperazine-2,5-dione
CID 64902612
1-[(4-bromothiophen-2-yl)methyl]-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 64901145
6-butan-2-yl-3-ethyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione
CID 64902418
1-[(4-bromothiophen-2-yl)methyl]-3-butan-2-yl-1,4-diazepane-2,5-dione
CID 64882750
1-[(4-bromothiophen-2-yl)methyl]-3-tert-butyl-6-ethylpiperazine-2,5-dione
CID 64903034
6-butan-2-yl-3-ethyl-1-[(5-methyloxolan-2-yl)methyl]piperazine-2,5-dione
CID 103141809
1-[(5-chlorothiophen-2-yl)methyl]-3-ethyl-6-propan-2-ylpiperazine-2,5-dione
CID 64903182
1-[(3-bromothiophen-2-yl)methyl]-6-butan-2-yl-3-methylpiperazine-2,5-dione
CID 64872716
1-[(2-bromophenyl)methyl]-6-butan-2-yl-3-methylpiperazine-2,5-dione
CID 64872913
1-[(3-chlorophenyl)methyl]-3-ethyl-6-propan-2-ylpiperazine-2,5-dione
CID 64902797
3-ethyl-1-[(3-fluorophenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64902986
6-butan-2-yl-1-(3-methylbutyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64900962

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromothiophen-2-yl)methyl]-6-butan-2-yl-3-ethylpiperazine-2,5-dione?
The IUPAC name of 1-[(4-bromothiophen-2-yl)methyl]-6-butan-2-yl-3-ethylpiperazine-2,5-dione (CID 64902609) is 1-[(4-bromothiophen-2-yl)methyl]-6-butan-2-yl-3-ethylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(4-bromothiophen-2-yl)methyl]-6-butan-2-yl-3-ethylpiperazine-2,5-dione?
The canonical SMILES for 1-[(4-bromothiophen-2-yl)methyl]-6-butan-2-yl-3-ethylpiperazine-2,5-dione is CCC1NC(=O)C(C(C)CC)N(Cc2cc(Br)cs2)C1=O.
What is the InChIKey of 1-[(4-bromothiophen-2-yl)methyl]-6-butan-2-yl-3-ethylpiperazine-2,5-dione?
The InChIKey is LBMRPWLSUDNUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2S/c1-4-9(3)13-14(19)17-12(5-2)15(20)18(13)7-11-6-10(16)8-21-11/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]-6-butan-2-yl-3-ethylpiperazine-2,5-dione?
1-[(4-bromothiophen-2-yl)methyl]-6-butan-2-yl-3-ethylpiperazine-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]-6-butan-2-yl-3-ethylpiperazine-2,5-dione is sourced from PubChem (CID 64902609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).