5-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]pyrazine-2-carboxylic acid

C16H14Cl2N4O3 — CID 122053000

IUPAC5-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)cn1
InChIInChI=1S/C16H14Cl2N4O3/c17-10-1-2-11(12(18)7-10)15(23)22-5-3-21(4-6-22)14-9-19-13(8-20-14)16(24)25/h1-2,7-9H,3-6H2,(H,24,25)
InChIKeyJHNGURXIPRUSQK-UHFFFAOYSA-N
MW381.22 g/mol
LogP2.44
Rot. Bonds3

About 5-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]pyrazine-2-carboxylic acid

5-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]pyrazine-2-carboxylic acid (PubChem CID 122053000) has the molecular formula C16H14Cl2N4O3 and a molecular weight of 381.22 g/mol. Its IUPAC name is 5-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]pyrazine-2-carboxylic acid
PubChem CID122053000
Molecular FormulaC16H14Cl2N4O3
Molecular Weight381.22 g/mol
Exact Mass380.04
IUPAC Name5-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)cn1
InChIInChI=1S/C16H14Cl2N4O3/c17-10-1-2-11(12(18)7-10)15(23)22-5-3-21(4-6-22)14-9-19-13(8-20-14)16(24)25/h1-2,7-9H,3-6H2,(H,24,25)
InChIKeyJHNGURXIPRUSQK-UHFFFAOYSA-N
XLogP2.44
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.22
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 110645070
(2,4-dichlorophenyl)-[4-(5-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 133309329
[5-(azepan-1-yl)pyrazin-2-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 109286464
(2,4-dichlorophenyl)-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]methanone
CID 91968972
5-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]pyrazine-2-carboxylic acid
CID 122053202
N-[6-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-pyridinyl]-2-methylbenzamide
CID 42850069
6-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(3-methylbutyl)pyridine-3-carboxamide
CID 24989747
(2,5-dichlorophenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone
CID 108741335
(2,4-dichlorophenyl)-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 121072238
(2,4-dichlorophenyl)-[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 53047592
(2,4-dichlorophenyl)-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]methanone
CID 122340188
(2,4-dichlorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 1332392

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]pyrazine-2-carboxylic acid (CID 122053000) is 5-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]pyrazine-2-carboxylic acid is O=C(O)c1cnc(N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)cn1.
What is the InChIKey of 5-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]pyrazine-2-carboxylic acid?
The InChIKey is JHNGURXIPRUSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N4O3/c17-10-1-2-11(12(18)7-10)15(23)22-5-3-21(4-6-22)14-9-19-13(8-20-14)16(24)25/h1-2,7-9H,3-6H2,(H,24,25).
What are the key properties of 5-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]pyrazine-2-carboxylic acid?
5-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]pyrazine-2-carboxylic acid has a molecular weight of 381.22 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 122053000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).