5-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrazine-2-carboxamide

C18H22ClN5O2 — CID 109275706

IUPAC5-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrazine-2-carboxamide
SMILESCOCCNC(=O)c1cnc(N2CCN(c3cccc(Cl)c3)CC2)cn1
InChIInChI=1S/C18H22ClN5O2/c1-26-10-5-20-18(25)16-12-22-17(13-21-16)24-8-6-23(7-9-24)15-4-2-3-14(19)11-15/h2-4,11-13H,5-10H2,1H3,(H,20,25)
InChIKeyVDFBRNLLBZGQPR-UHFFFAOYSA-N
MW375.86 g/mol
LogP1.83
Rot. Bonds6

About 5-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrazine-2-carboxamide

5-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrazine-2-carboxamide (PubChem CID 109275706) has the molecular formula C18H22ClN5O2 and a molecular weight of 375.86 g/mol. Its IUPAC name is 5-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrazine-2-carboxamide
PubChem CID109275706
Molecular FormulaC18H22ClN5O2
Molecular Weight375.86 g/mol
Exact Mass375.15
IUPAC Name5-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrazine-2-carboxamide
SMILESCOCCNC(=O)c1cnc(N2CCN(c3cccc(Cl)c3)CC2)cn1
InChIInChI=1S/C18H22ClN5O2/c1-26-10-5-20-18(25)16-12-22-17(13-21-16)24-8-6-23(7-9-24)15-4-2-3-14(19)11-15/h2-4,11-13H,5-10H2,1H3,(H,20,25)
InChIKeyVDFBRNLLBZGQPR-UHFFFAOYSA-N
XLogP1.83
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-tert-butyl-5-[4-(3-chlorophenyl)piperazin-1-yl]pyrazine-2-carboxamide
CID 109286468
5-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrazine-2-carboxamide
CID 109275707
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
CID 71840357
2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-N-(2-methoxyethyl)-1,3-oxazole-4-carboxamide
CID 42850946
6-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrimidin-4-amine
CID 112856701
5-(azepan-1-yl)-N-(3-methoxypropyl)pyrazine-2-carboxamide
CID 109276095
5-[4-(4-methoxyphenyl)piperazin-1-yl]-N-pentylpyrazine-2-carboxamide
CID 109288007
N-(2-methoxyethyl)-2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109364854
[5-(azepan-1-yl)pyrazin-2-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 109286464
5-(4-acetylpiperazin-1-yl)-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109183834
6-[4-(3-chlorophenyl)piperazin-1-yl]-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide
CID 109153889
[4-(3-chlorophenyl)piperazin-1-yl]-[2-(2-methoxyethylamino)pyrimidin-5-yl]methanone
CID 109251539

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrazine-2-carboxamide?
The IUPAC name of 5-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrazine-2-carboxamide (CID 109275706) is 5-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrazine-2-carboxamide is COCCNC(=O)c1cnc(N2CCN(c3cccc(Cl)c3)CC2)cn1.
What is the InChIKey of 5-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrazine-2-carboxamide?
The InChIKey is VDFBRNLLBZGQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN5O2/c1-26-10-5-20-18(25)16-12-22-17(13-21-16)24-8-6-23(7-9-24)15-4-2-3-14(19)11-15/h2-4,11-13H,5-10H2,1H3,(H,20,25).
What are the key properties of 5-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrazine-2-carboxamide?
5-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrazine-2-carboxamide has a molecular weight of 375.86 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109275706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).