1-(4-bromothiophen-2-yl)-3-piperazin-1-ylpropan-1-one

C11H15BrN2OS — CID 82308500

IUPAC1-(4-bromothiophen-2-yl)-3-piperazin-1-ylpropan-1-one
SMILESO=C(CCN1CCNCC1)c1cc(Br)cs1
InChIInChI=1S/C11H15BrN2OS/c12-9-7-11(16-8-9)10(15)1-4-14-5-2-13-3-6-14/h7-8,13H,1-6H2
InChIKeyILNFVZBUBJVICB-UHFFFAOYSA-N
MW303.22 g/mol
LogP1.99
Rot. Bonds4

About 1-(4-bromothiophen-2-yl)-3-piperazin-1-ylpropan-1-one

1-(4-bromothiophen-2-yl)-3-piperazin-1-ylpropan-1-one (PubChem CID 82308500) has the molecular formula C11H15BrN2OS and a molecular weight of 303.22 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-3-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-3-piperazin-1-ylpropan-1-one
PubChem CID82308500
Molecular FormulaC11H15BrN2OS
Molecular Weight303.22 g/mol
Exact Mass302.01
IUPAC Name1-(4-bromothiophen-2-yl)-3-piperazin-1-ylpropan-1-one
SMILESO=C(CCN1CCNCC1)c1cc(Br)cs1
InChIInChI=1S/C11H15BrN2OS/c12-9-7-11(16-8-9)10(15)1-4-14-5-2-13-3-6-14/h7-8,13H,1-6H2
InChIKeyILNFVZBUBJVICB-UHFFFAOYSA-N
XLogP1.99
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.22
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-bromothiophen-2-yl)-3-piperazin-1-ylpropan-1-one 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)-3-hydroxypropan-1-one
CID 82291002
1-(4-bromo-3-methylphenyl)-3-piperazin-1-ylpropan-1-one
CID 82264457
1-(4-bromothiophen-2-yl)-4-chlorobutan-1-one
CID 15818846
1-(3-chloro-4-fluorophenyl)-3-piperazin-1-ylpropan-1-one
CID 96667810
N-(2-piperazin-1-ylethyl)-4-sulfanylthiophene-2-carboxamide
CID 107024051
1-(4-methylphenyl)-3-piperazin-1-ylpropan-1-one
CID 82064813
1-(2,4-dimethylphenyl)-3-piperazin-1-ylpropan-1-one
CID 82064821
(4-bromothiophen-2-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120994398
1-(2-methoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82064831
1-(4-methoxy-2,6-dimethylphenyl)-3-piperazin-1-ylpropan-1-one
CID 82136471
3-(1,4,7,10,13-pentazacyclopentadec-1-yl)propanoic acid
CID 21338288
5-(3-piperazin-1-ylpropanoyl)-1,3-dihydrobenzimidazol-2-one
CID 96680051

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-3-piperazin-1-ylpropan-1-one?
The IUPAC name of 1-(4-bromothiophen-2-yl)-3-piperazin-1-ylpropan-1-one (CID 82308500) is 1-(4-bromothiophen-2-yl)-3-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-3-piperazin-1-ylpropan-1-one?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-3-piperazin-1-ylpropan-1-one is O=C(CCN1CCNCC1)c1cc(Br)cs1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-3-piperazin-1-ylpropan-1-one?
The InChIKey is ILNFVZBUBJVICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2OS/c12-9-7-11(16-8-9)10(15)1-4-14-5-2-13-3-6-14/h7-8,13H,1-6H2.
What are the key properties of 1-(4-bromothiophen-2-yl)-3-piperazin-1-ylpropan-1-one?
1-(4-bromothiophen-2-yl)-3-piperazin-1-ylpropan-1-one has a molecular weight of 303.22 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)-3-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 82308500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).