N-(5-bromothiophen-2-yl)-N-methyl-2-piperazin-1-ylacetamide

C11H16BrN3OS — CID 115171678

IUPACN-(5-bromothiophen-2-yl)-N-methyl-2-piperazin-1-ylacetamide
SMILESCN(C(=O)CN1CCNCC1)c1ccc(Br)s1
InChIInChI=1S/C11H16BrN3OS/c1-14(11-3-2-9(12)17-11)10(16)8-15-6-4-13-5-7-15/h2-3,13H,4-8H2,1H3
InChIKeyFYNFTDHPRSHCFN-UHFFFAOYSA-N
MW318.24 g/mol
LogP1.38
Rot. Bonds3

About N-(5-bromothiophen-2-yl)-N-methyl-2-piperazin-1-ylacetamide

N-(5-bromothiophen-2-yl)-N-methyl-2-piperazin-1-ylacetamide (PubChem CID 115171678) has the molecular formula C11H16BrN3OS and a molecular weight of 318.24 g/mol. Its IUPAC name is N-(5-bromothiophen-2-yl)-N-methyl-2-piperazin-1-ylacetamide.

Molecular Properties

Compound NameN-(5-bromothiophen-2-yl)-N-methyl-2-piperazin-1-ylacetamide
PubChem CID115171678
Molecular FormulaC11H16BrN3OS
Molecular Weight318.24 g/mol
Exact Mass317.02
IUPAC NameN-(5-bromothiophen-2-yl)-N-methyl-2-piperazin-1-ylacetamide
SMILESCN(C(=O)CN1CCNCC1)c1ccc(Br)s1
InChIInChI=1S/C11H16BrN3OS/c1-14(11-3-2-9(12)17-11)10(16)8-15-6-4-13-5-7-15/h2-3,13H,4-8H2,1H3
InChIKeyFYNFTDHPRSHCFN-UHFFFAOYSA-N
XLogP1.38
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.24
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(5-bromothiophen-2-yl)-N-methyl-2-piperazin-1-ylacetamide 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

N-(5-bromothiophen-2-yl)-N-methyl-2-sulfanylacetamide
CID 115167022
N-methyl-N-(3-methylthiophen-2-yl)-2-piperazin-1-ylacetamide
CID 115171691
N-(5-bromothiophen-2-yl)-2-piperazin-1-ylacetamide
CID 115171663
N-(5-bromothiophen-2-yl)-N-methyl-4-oxopentanamide
CID 115176777
2-[methyl-(2-piperazin-1-ylacetyl)amino]benzoic acid
CID 61158983
3-amino-N-(5-bromothiophen-2-yl)-N,3-dimethylbutanamide
CID 115154895
N-(5-bromothiophen-2-yl)-N-methylcarbamoyl bromide
CID 115193397
2-(1,4-diazepan-1-yl)-N-methyl-N-(2-methylphenyl)acetamide
CID 62833998
2-[[2-(1,4-diazepan-1-yl)acetyl]-methylamino]benzoic acid
CID 62839047
N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-2-piperazin-1-ylacetamide
CID 54873710
N-methyl-3-piperazin-1-yl-N-thiophen-2-ylpropanamide
CID 115171742
N-methyl-2-piperazin-1-yl-N-(thiophen-3-ylmethyl)acetamide
CID 43162389

Frequently Asked Questions

What is the IUPAC name of N-(5-bromothiophen-2-yl)-N-methyl-2-piperazin-1-ylacetamide?
The IUPAC name of N-(5-bromothiophen-2-yl)-N-methyl-2-piperazin-1-ylacetamide (CID 115171678) is N-(5-bromothiophen-2-yl)-N-methyl-2-piperazin-1-ylacetamide.
What is the SMILES notation for N-(5-bromothiophen-2-yl)-N-methyl-2-piperazin-1-ylacetamide?
The canonical SMILES for N-(5-bromothiophen-2-yl)-N-methyl-2-piperazin-1-ylacetamide is CN(C(=O)CN1CCNCC1)c1ccc(Br)s1.
What is the InChIKey of N-(5-bromothiophen-2-yl)-N-methyl-2-piperazin-1-ylacetamide?
The InChIKey is FYNFTDHPRSHCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3OS/c1-14(11-3-2-9(12)17-11)10(16)8-15-6-4-13-5-7-15/h2-3,13H,4-8H2,1H3.
What are the key properties of N-(5-bromothiophen-2-yl)-N-methyl-2-piperazin-1-ylacetamide?
N-(5-bromothiophen-2-yl)-N-methyl-2-piperazin-1-ylacetamide has a molecular weight of 318.24 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromothiophen-2-yl)-N-methyl-2-piperazin-1-ylacetamide is sourced from PubChem (CID 115171678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).