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

C18H22FN5O2 — CID 109275707

IUPAC5-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrazine-2-carboxamide
SMILESCOCCNC(=O)c1cnc(N2CCN(c3ccccc3F)CC2)cn1
InChIInChI=1S/C18H22FN5O2/c1-26-11-6-20-18(25)15-12-22-17(13-21-15)24-9-7-23(8-10-24)16-5-3-2-4-14(16)19/h2-5,12-13H,6-11H2,1H3,(H,20,25)
InChIKeyKISVMXNYJXKJCX-UHFFFAOYSA-N
MW359.41 g/mol
LogP1.32
Rot. Bonds6

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

5-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrazine-2-carboxamide (PubChem CID 109275707) has the molecular formula C18H22FN5O2 and a molecular weight of 359.41 g/mol. Its IUPAC name is 5-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrazine-2-carboxamide
PubChem CID109275707
Molecular FormulaC18H22FN5O2
Molecular Weight359.41 g/mol
Exact Mass359.18
IUPAC Name5-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrazine-2-carboxamide
SMILESCOCCNC(=O)c1cnc(N2CCN(c3ccccc3F)CC2)cn1
InChIInChI=1S/C18H22FN5O2/c1-26-11-6-20-18(25)15-12-22-17(13-21-15)24-9-7-23(8-10-24)16-5-3-2-4-14(16)19/h2-5,12-13H,6-11H2,1H3,(H,20,25)
InChIKeyKISVMXNYJXKJCX-UHFFFAOYSA-N
XLogP1.32
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 51.32
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

2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrimidine-4-carboxamide
CID 109299842
5-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrazine-2-carboxamide
CID 109275706
5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-pentylpyrazine-2-carboxamide
CID 109286431
2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methoxy-N-(2-methoxyethyl)pyrimidine-5-carboxamide
CID 42847722
4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109082360
5-(azepan-1-yl)-N-(3-methoxypropyl)pyrazine-2-carboxamide
CID 109276095
5-(4-benzylpiperidin-1-yl)-N-(3-methoxypropyl)pyrazine-2-carboxamide
CID 109276089
N-cyclopentyl-5-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazine-2-carboxamide
CID 109273939
[4-(2-fluorophenyl)piperazin-1-yl]-[6-(2-methoxyethylamino)-3-pyridinyl]methanone
CID 109152902
1-chloro-2-fluorobenzene;2-methoxy-N,N-dimethylethanamine;methyl 5-pyrrolidin-1-ylpyrazine-2-carboxylate
CID 176961256
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-methoxyethylamino)propan-1-one
CID 109015201
5-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109183865

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrazine-2-carboxamide?
The IUPAC name of 5-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrazine-2-carboxamide (CID 109275707) is 5-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrazine-2-carboxamide is COCCNC(=O)c1cnc(N2CCN(c3ccccc3F)CC2)cn1.
What is the InChIKey of 5-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrazine-2-carboxamide?
The InChIKey is KISVMXNYJXKJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN5O2/c1-26-11-6-20-18(25)15-12-22-17(13-21-15)24-9-7-23(8-10-24)16-5-3-2-4-14(16)19/h2-5,12-13H,6-11H2,1H3,(H,20,25).
What are the key properties of 5-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrazine-2-carboxamide?
5-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrazine-2-carboxamide has a molecular weight of 359.41 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109275707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).