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

C10H14BrN3OS — CID 115171663

IUPACN-(5-bromothiophen-2-yl)-2-piperazin-1-ylacetamide
SMILESO=C(CN1CCNCC1)Nc1ccc(Br)s1
InChIInChI=1S/C10H14BrN3OS/c11-8-1-2-10(16-8)13-9(15)7-14-5-3-12-4-6-14/h1-2,12H,3-7H2,(H,13,15)
InChIKeyZNVYPHUUPKIZNC-UHFFFAOYSA-N
MW304.21 g/mol
LogP1.35
Rot. Bonds3

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

N-(5-bromothiophen-2-yl)-2-piperazin-1-ylacetamide (PubChem CID 115171663) has the molecular formula C10H14BrN3OS and a molecular weight of 304.21 g/mol. Its IUPAC name is N-(5-bromothiophen-2-yl)-2-piperazin-1-ylacetamide.

Molecular Properties

Compound NameN-(5-bromothiophen-2-yl)-2-piperazin-1-ylacetamide
PubChem CID115171663
Molecular FormulaC10H14BrN3OS
Molecular Weight304.21 g/mol
Exact Mass303.00
IUPAC NameN-(5-bromothiophen-2-yl)-2-piperazin-1-ylacetamide
SMILESO=C(CN1CCNCC1)Nc1ccc(Br)s1
InChIInChI=1S/C10H14BrN3OS/c11-8-1-2-10(16-8)13-9(15)7-14-5-3-12-4-6-14/h1-2,12H,3-7H2,(H,13,15)
InChIKeyZNVYPHUUPKIZNC-UHFFFAOYSA-N
XLogP1.35
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.21
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-piperazin-1-yl-N-(thiadiazol-5-yl)acetamide
CID 114912326
N-(4-bromophenyl)-2-(1,4-diazepan-1-yl)acetamide
CID 18070461
N-(4-hydroxyphenyl)-2-piperazin-1-ylacetamide
CID 60850914
5-bromo-N-(3-piperazin-1-ylpropyl)thiophen-2-amine
CID 115230458
N-(4-bromo-2,3-dichlorophenyl)-2-piperazin-1-ylacetamide
CID 107790162
N-(5-bromothiophen-2-yl)-N-methyl-2-piperazin-1-ylacetamide
CID 115171678
N-(5-bromo-2-chlorophenyl)-2-piperazin-1-ylacetamide
CID 62908578
5-bromo-N-(2-piperazin-1-ylethyl)thiophene-2-carboxamide
CID 43600302
N-(4-bromo-2,3-dichlorophenyl)-2-(1,4-diazepan-1-yl)acetamide
CID 107790106
N-[4-bromo-2-(trifluoromethyl)phenyl]-2-piperazin-1-ylacetamide
CID 60792385
N-(3-cyanothiophen-2-yl)-2-piperazin-1-ylacetamide
CID 43162397
N-(5-chloro-2-pyridinyl)-2-piperazin-1-ylacetamide
CID 28881141

Frequently Asked Questions

What is the IUPAC name of N-(5-bromothiophen-2-yl)-2-piperazin-1-ylacetamide?
The IUPAC name of N-(5-bromothiophen-2-yl)-2-piperazin-1-ylacetamide (CID 115171663) is N-(5-bromothiophen-2-yl)-2-piperazin-1-ylacetamide.
What is the SMILES notation for N-(5-bromothiophen-2-yl)-2-piperazin-1-ylacetamide?
The canonical SMILES for N-(5-bromothiophen-2-yl)-2-piperazin-1-ylacetamide is O=C(CN1CCNCC1)Nc1ccc(Br)s1.
What is the InChIKey of N-(5-bromothiophen-2-yl)-2-piperazin-1-ylacetamide?
The InChIKey is ZNVYPHUUPKIZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3OS/c11-8-1-2-10(16-8)13-9(15)7-14-5-3-12-4-6-14/h1-2,12H,3-7H2,(H,13,15).
What are the key properties of N-(5-bromothiophen-2-yl)-2-piperazin-1-ylacetamide?
N-(5-bromothiophen-2-yl)-2-piperazin-1-ylacetamide has a molecular weight of 304.21 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromothiophen-2-yl)-2-piperazin-1-ylacetamide is sourced from PubChem (CID 115171663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).