(5-bromothiophen-3-yl)-piperazin-1-ylmethanone;hydrochloride

C9H12BrClN2OS — CID 119403242

IUPAC(5-bromothiophen-3-yl)-piperazin-1-ylmethanone;hydrochloride
SMILESCl.O=C(c1csc(Br)c1)N1CCNCC1
InChIInChI=1S/C9H11BrN2OS.ClH/c10-8-5-7(6-14-8)9(13)12-3-1-11-2-4-12;/h5-6,11H,1-4H2;1H
InChIKeyWJUFWTSJSGIPFF-UHFFFAOYSA-N
MW311.63 g/mol
LogP1.98
Rot. Bonds1

About (5-bromothiophen-3-yl)-piperazin-1-ylmethanone;hydrochloride

(5-bromothiophen-3-yl)-piperazin-1-ylmethanone;hydrochloride (PubChem CID 119403242) has the molecular formula C9H12BrClN2OS and a molecular weight of 311.63 g/mol. Its IUPAC name is (5-bromothiophen-3-yl)-piperazin-1-ylmethanone;hydrochloride.

Molecular Properties

Compound Name(5-bromothiophen-3-yl)-piperazin-1-ylmethanone;hydrochloride
PubChem CID119403242
Molecular FormulaC9H12BrClN2OS
Molecular Weight311.63 g/mol
Exact Mass309.95
IUPAC Name(5-bromothiophen-3-yl)-piperazin-1-ylmethanone;hydrochloride
SMILESCl.O=C(c1csc(Br)c1)N1CCNCC1
InChIInChI=1S/C9H11BrN2OS.ClH/c10-8-5-7(6-14-8)9(13)12-3-1-11-2-4-12;/h5-6,11H,1-4H2;1H
InChIKeyWJUFWTSJSGIPFF-UHFFFAOYSA-N
XLogP1.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.63
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromothiophen-3-yl)-(3,3-dimethylpiperazin-1-yl)methanone
CID 103722220
(5-bromothiophen-3-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 43647141
(5-bromothiophen-3-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119473006
1-(5-bromothiophene-3-carbonyl)piperidine-4-carboxylic acid
CID 43354162
(5-bromothiophen-3-yl)-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone;hydrochloride
CID 120823172
1-(5-bromothiophene-3-carbonyl)imidazolidin-2-one
CID 60954640
1-(5-bromothiophene-3-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 55178525
[4-(aminomethyl)piperidin-1-yl]-(5-bromothiophen-3-yl)methanone
CID 103805374
(3-aminopyrrolidin-1-yl)-(5-bromothiophen-3-yl)methanone;hydrochloride
CID 119483030
[4-(5-bromothiophene-3-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 38004798
1-(5-bromothiophene-3-carbonyl)piperazine-2-carboxamide
CID 107963605
3,5-bis(piperazine-1-carbonyl)benzoic acid
CID 90342459

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-3-yl)-piperazin-1-ylmethanone;hydrochloride?
The IUPAC name of (5-bromothiophen-3-yl)-piperazin-1-ylmethanone;hydrochloride (CID 119403242) is (5-bromothiophen-3-yl)-piperazin-1-ylmethanone;hydrochloride.
What is the SMILES notation for (5-bromothiophen-3-yl)-piperazin-1-ylmethanone;hydrochloride?
The canonical SMILES for (5-bromothiophen-3-yl)-piperazin-1-ylmethanone;hydrochloride is Cl.O=C(c1csc(Br)c1)N1CCNCC1.
What is the InChIKey of (5-bromothiophen-3-yl)-piperazin-1-ylmethanone;hydrochloride?
The InChIKey is WJUFWTSJSGIPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2OS.ClH/c10-8-5-7(6-14-8)9(13)12-3-1-11-2-4-12;/h5-6,11H,1-4H2;1H.
What are the key properties of (5-bromothiophen-3-yl)-piperazin-1-ylmethanone;hydrochloride?
(5-bromothiophen-3-yl)-piperazin-1-ylmethanone;hydrochloride has a molecular weight of 311.63 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-3-yl)-piperazin-1-ylmethanone;hydrochloride is sourced from PubChem (CID 119403242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).