5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-pentylpyrazine-2-carboxamide

C21H29N5O2 — CID 109286431

IUPAC5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-pentylpyrazine-2-carboxamide
SMILESCCCCCNC(=O)c1cnc(N2CCN(c3ccccc3OC)CC2)cn1
InChIInChI=1S/C21H29N5O2/c1-3-4-7-10-22-21(27)17-15-24-20(16-23-17)26-13-11-25(12-14-26)18-8-5-6-9-19(18)28-2/h5-6,8-9,15-16H,3-4,7,10-14H2,1-2H3,(H,22,27)
InChIKeyMYMQUDBRGLGJJV-UHFFFAOYSA-N
MW383.50 g/mol
LogP2.73
Rot. Bonds8

About 5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-pentylpyrazine-2-carboxamide

5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-pentylpyrazine-2-carboxamide (PubChem CID 109286431) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is 5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-pentylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-pentylpyrazine-2-carboxamide
PubChem CID109286431
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC Name5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-pentylpyrazine-2-carboxamide
SMILESCCCCCNC(=O)c1cnc(N2CCN(c3ccccc3OC)CC2)cn1
InChIInChI=1S/C21H29N5O2/c1-3-4-7-10-22-21(27)17-15-24-20(16-23-17)26-13-11-25(12-14-26)18-8-5-6-9-19(18)28-2/h5-6,8-9,15-16H,3-4,7,10-14H2,1-2H3,(H,22,27)
InChIKeyMYMQUDBRGLGJJV-UHFFFAOYSA-N
XLogP2.73
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 52.73
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-cyclopentyl-5-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazine-2-carboxamide
CID 109273939
4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-pentylpyridine-2-carboxamide
CID 109216074
5-[4-(4-methoxyphenyl)piperazin-1-yl]-N-pentylpyrazine-2-carboxamide
CID 109288007
N-pentyl-5-piperidin-1-ylpyrazine-2-carboxamide
CID 109274518
4-(2-methoxyphenyl)-N-pentylpiperazine-1-carboxamide
CID 41353621
5-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrazine-2-carboxamide
CID 109275707
N-butyl-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109272354
5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109184245
N-pentyl-5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyrazine-2-carboxamide
CID 11213066
N-[2-(2-methoxyphenyl)ethyl]-5-morpholin-4-ylpyrazine-2-carboxamide
CID 109276596
N-butyl-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 6468080
N-[2-(2-methoxyphenyl)ethyl]-5-(4-methylpiperidin-1-yl)pyrazine-2-carboxamide
CID 109275219

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-pentylpyrazine-2-carboxamide?
The IUPAC name of 5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-pentylpyrazine-2-carboxamide (CID 109286431) is 5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-pentylpyrazine-2-carboxamide.
What is the SMILES notation for 5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-pentylpyrazine-2-carboxamide?
The canonical SMILES for 5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-pentylpyrazine-2-carboxamide is CCCCCNC(=O)c1cnc(N2CCN(c3ccccc3OC)CC2)cn1.
What is the InChIKey of 5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-pentylpyrazine-2-carboxamide?
The InChIKey is MYMQUDBRGLGJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-3-4-7-10-22-21(27)17-15-24-20(16-23-17)26-13-11-25(12-14-26)18-8-5-6-9-19(18)28-2/h5-6,8-9,15-16H,3-4,7,10-14H2,1-2H3,(H,22,27).
What are the key properties of 5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-pentylpyrazine-2-carboxamide?
5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-pentylpyrazine-2-carboxamide has a molecular weight of 383.50 g/mol, XLogP of 2.73, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-pentylpyrazine-2-carboxamide is sourced from PubChem (CID 109286431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).