1-(5-bromothiophene-3-carbonyl)piperazine-2-carboxamide

C10H12BrN3O2S — CID 107963605

IUPAC1-(5-bromothiophene-3-carbonyl)piperazine-2-carboxamide
SMILESNC(=O)C1CNCCN1C(=O)c1csc(Br)c1
InChIInChI=1S/C10H12BrN3O2S/c11-8-3-6(5-17-8)10(16)14-2-1-13-4-7(14)9(12)15/h3,5,7,13H,1-2,4H2,(H2,12,15)
InChIKeyDFBMQMAHOZJGQY-UHFFFAOYSA-N
MW318.20 g/mol
LogP0.41
Rot. Bonds2

About 1-(5-bromothiophene-3-carbonyl)piperazine-2-carboxamide

1-(5-bromothiophene-3-carbonyl)piperazine-2-carboxamide (PubChem CID 107963605) has the molecular formula C10H12BrN3O2S and a molecular weight of 318.20 g/mol. Its IUPAC name is 1-(5-bromothiophene-3-carbonyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name1-(5-bromothiophene-3-carbonyl)piperazine-2-carboxamide
PubChem CID107963605
Molecular FormulaC10H12BrN3O2S
Molecular Weight318.20 g/mol
Exact Mass316.98
IUPAC Name1-(5-bromothiophene-3-carbonyl)piperazine-2-carboxamide
SMILESNC(=O)C1CNCCN1C(=O)c1csc(Br)c1
InChIInChI=1S/C10H12BrN3O2S/c11-8-3-6(5-17-8)10(16)14-2-1-13-4-7(14)9(12)15/h3,5,7,13H,1-2,4H2,(H2,12,15)
InChIKeyDFBMQMAHOZJGQY-UHFFFAOYSA-N
XLogP0.41
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.20
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5-bromothiophen-3-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119473006
1-(3,4-dihydroxybenzoyl)piperazine-2-carboxamide
CID 107728749
1-(5-bromo-4-methylthiophene-2-carbonyl)piperazine-2-carboxamide
CID 79997413
1-(5-iodothiophene-3-carbonyl)piperazine-2-carboxylic acid
CID 79693821
(5-bromothiophen-3-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120737625
(5-bromothiophen-3-yl)-piperazin-1-ylmethanone;hydrochloride
CID 119403242
1-(2,5-dichlorothiophene-3-carbonyl)piperazine-2-carboxamide
CID 107963606
N-ethyl-1-(5-iodothiophene-3-carbonyl)piperazine-2-carboxamide
CID 79694089
(5-bromothiophen-3-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120734960
1-(5-bromothiophene-3-carbonyl)azepane-2-carboxylic acid
CID 64560879
tert-butyl (2R)-1-(5-bromothiophene-3-carbonyl)pyrrolidine-2-carboxylate
CID 81003019
1-(3,5-dibromobenzoyl)-N-methylpiperazine-2-carboxamide
CID 107973359

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophene-3-carbonyl)piperazine-2-carboxamide?
The IUPAC name of 1-(5-bromothiophene-3-carbonyl)piperazine-2-carboxamide (CID 107963605) is 1-(5-bromothiophene-3-carbonyl)piperazine-2-carboxamide.
What is the SMILES notation for 1-(5-bromothiophene-3-carbonyl)piperazine-2-carboxamide?
The canonical SMILES for 1-(5-bromothiophene-3-carbonyl)piperazine-2-carboxamide is NC(=O)C1CNCCN1C(=O)c1csc(Br)c1.
What is the InChIKey of 1-(5-bromothiophene-3-carbonyl)piperazine-2-carboxamide?
The InChIKey is DFBMQMAHOZJGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3O2S/c11-8-3-6(5-17-8)10(16)14-2-1-13-4-7(14)9(12)15/h3,5,7,13H,1-2,4H2,(H2,12,15).
What are the key properties of 1-(5-bromothiophene-3-carbonyl)piperazine-2-carboxamide?
1-(5-bromothiophene-3-carbonyl)piperazine-2-carboxamide has a molecular weight of 318.20 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophene-3-carbonyl)piperazine-2-carboxamide is sourced from PubChem (CID 107963605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).