1-[(3-bromothiophen-2-yl)methyl]-3-cyclopropyl-6-propylpiperazine-2,5-dione

C15H19BrN2O2S — CID 64885436

IUPAC1-[(3-bromothiophen-2-yl)methyl]-3-cyclopropyl-6-propylpiperazine-2,5-dione
SMILESCCCC1C(=O)NC(C2CC2)C(=O)N1Cc1sccc1Br
InChIInChI=1S/C15H19BrN2O2S/c1-2-3-11-14(19)17-13(9-4-5-9)15(20)18(11)8-12-10(16)6-7-21-12/h6-7,9,11,13H,2-5,8H2,1H3,(H,17,19)
InChIKeySRTJHQMAJIEOHP-UHFFFAOYSA-N
MW371.30 g/mol
LogP2.92
Rot. Bonds5

About 1-[(3-bromothiophen-2-yl)methyl]-3-cyclopropyl-6-propylpiperazine-2,5-dione

1-[(3-bromothiophen-2-yl)methyl]-3-cyclopropyl-6-propylpiperazine-2,5-dione (PubChem CID 64885436) has the molecular formula C15H19BrN2O2S and a molecular weight of 371.30 g/mol. Its IUPAC name is 1-[(3-bromothiophen-2-yl)methyl]-3-cyclopropyl-6-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(3-bromothiophen-2-yl)methyl]-3-cyclopropyl-6-propylpiperazine-2,5-dione
PubChem CID64885436
Molecular FormulaC15H19BrN2O2S
Molecular Weight371.30 g/mol
Exact Mass370.04
IUPAC Name1-[(3-bromothiophen-2-yl)methyl]-3-cyclopropyl-6-propylpiperazine-2,5-dione
SMILESCCCC1C(=O)NC(C2CC2)C(=O)N1Cc1sccc1Br
InChIInChI=1S/C15H19BrN2O2S/c1-2-3-11-14(19)17-13(9-4-5-9)15(20)18(11)8-12-10(16)6-7-21-12/h6-7,9,11,13H,2-5,8H2,1H3,(H,17,19)
InChIKeySRTJHQMAJIEOHP-UHFFFAOYSA-N
XLogP2.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.30
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(3-bromothiophen-2-yl)methyl]-3-cyclopropyl-6-propylpiperazine-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

3-cyclopropyl-1,6-dipropylpiperazine-2,5-dione
CID 64886190
1-[(3-bromothiophen-2-yl)methyl]-3-methyl-6-(2-methylpropyl)piperazine-2,5-dione
CID 64874137
3-cyclopropyl-1-(2-ethylbutyl)-6-propylpiperazine-2,5-dione
CID 82934654
1-[(4-bromophenyl)methyl]-3-cyclopropyl-6-ethylpiperazine-2,5-dione
CID 64885048
3-cyclopropyl-1-(4-methylpentyl)-6-propylpiperazine-2,5-dione
CID 83168014
1-[(5-bromothiophen-2-yl)methyl]-3-cyclopropyl-6-ethylpiperazine-2,5-dione
CID 64885616
1-[(E)-but-2-enyl]-3-cyclopropyl-6-propylpiperazine-2,5-dione
CID 114013993
2-[(3-bromothiophen-2-yl)methyl]-2-azabicyclo[2.2.1]heptan-3-one
CID 130893013
1-[(3-bromothiophen-2-yl)methyl]-6-butan-2-yl-3-methylpiperazine-2,5-dione
CID 64872716
3-cyclopropyl-1-(3-methoxy-3-methylbutyl)-6-propylpiperazine-2,5-dione
CID 103016949
1-[(3-bromothiophen-2-yl)methyl]-3,3,6-triethylpiperazine-2,5-dione
CID 64887113
3-cyclopropyl-6-ethyl-1-[(4-fluorophenyl)methyl]piperazine-2,5-dione
CID 64885620

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromothiophen-2-yl)methyl]-3-cyclopropyl-6-propylpiperazine-2,5-dione?
The IUPAC name of 1-[(3-bromothiophen-2-yl)methyl]-3-cyclopropyl-6-propylpiperazine-2,5-dione (CID 64885436) is 1-[(3-bromothiophen-2-yl)methyl]-3-cyclopropyl-6-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(3-bromothiophen-2-yl)methyl]-3-cyclopropyl-6-propylpiperazine-2,5-dione?
The canonical SMILES for 1-[(3-bromothiophen-2-yl)methyl]-3-cyclopropyl-6-propylpiperazine-2,5-dione is CCCC1C(=O)NC(C2CC2)C(=O)N1Cc1sccc1Br.
What is the InChIKey of 1-[(3-bromothiophen-2-yl)methyl]-3-cyclopropyl-6-propylpiperazine-2,5-dione?
The InChIKey is SRTJHQMAJIEOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O2S/c1-2-3-11-14(19)17-13(9-4-5-9)15(20)18(11)8-12-10(16)6-7-21-12/h6-7,9,11,13H,2-5,8H2,1H3,(H,17,19).
What are the key properties of 1-[(3-bromothiophen-2-yl)methyl]-3-cyclopropyl-6-propylpiperazine-2,5-dione?
1-[(3-bromothiophen-2-yl)methyl]-3-cyclopropyl-6-propylpiperazine-2,5-dione has a molecular weight of 371.30 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromothiophen-2-yl)methyl]-3-cyclopropyl-6-propylpiperazine-2,5-dione is sourced from PubChem (CID 64885436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).