5-(4-benzylpiperidin-1-yl)-N-butylpyrazine-2-carboxamide

C21H28N4O — CID 109272418

IUPAC5-(4-benzylpiperidin-1-yl)-N-butylpyrazine-2-carboxamide
SMILESCCCCNC(=O)c1cnc(N2CCC(Cc3ccccc3)CC2)cn1
InChIInChI=1S/C21H28N4O/c1-2-3-11-22-21(26)19-15-24-20(16-23-19)25-12-9-18(10-13-25)14-17-7-5-4-6-8-17/h4-8,15-16,18H,2-3,9-14H2,1H3,(H,22,26)
InChIKeyYKBQKGOJMUWGGB-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.47
Rot. Bonds7

About 5-(4-benzylpiperidin-1-yl)-N-butylpyrazine-2-carboxamide

5-(4-benzylpiperidin-1-yl)-N-butylpyrazine-2-carboxamide (PubChem CID 109272418) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is 5-(4-benzylpiperidin-1-yl)-N-butylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(4-benzylpiperidin-1-yl)-N-butylpyrazine-2-carboxamide
PubChem CID109272418
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC Name5-(4-benzylpiperidin-1-yl)-N-butylpyrazine-2-carboxamide
SMILESCCCCNC(=O)c1cnc(N2CCC(Cc3ccccc3)CC2)cn1
InChIInChI=1S/C21H28N4O/c1-2-3-11-22-21(26)19-15-24-20(16-23-19)25-12-9-18(10-13-25)14-17-7-5-4-6-8-17/h4-8,15-16,18H,2-3,9-14H2,1H3,(H,22,26)
InChIKeyYKBQKGOJMUWGGB-UHFFFAOYSA-N
XLogP3.47
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(4-benzylpiperidin-1-yl)-N-(3-methoxypropyl)pyrazine-2-carboxamide
CID 109276089
5-(4-benzylpiperidin-1-yl)-N-butylpyridine-2-carboxamide
CID 109180700
5-(4-benzylpiperidin-1-yl)-N-cyclopentylpyrazine-2-carboxamide
CID 109273957
N-butyl-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109272354
5-(4-benzylpiperidin-1-yl)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109184262
N-pentyl-5-piperidin-1-ylpyrazine-2-carboxamide
CID 109274518
5-(4-benzylpiperidin-1-yl)-N-(4-cyanophenyl)pyrazine-2-carboxamide
CID 109288490
6-(4-benzylpiperidin-1-yl)-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109153028
5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-pentylpyrazine-2-carboxamide
CID 109286431
N-[3-(dimethylamino)propyl]-5-(4-methylpiperidin-1-yl)pyrazine-2-carboxamide
CID 109275192
N-benzyl-6-(4-benzylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109346670
5-[4-(4-methoxyphenyl)piperazin-1-yl]-N-pentylpyrazine-2-carboxamide
CID 109288007

Frequently Asked Questions

What is the IUPAC name of 5-(4-benzylpiperidin-1-yl)-N-butylpyrazine-2-carboxamide?
The IUPAC name of 5-(4-benzylpiperidin-1-yl)-N-butylpyrazine-2-carboxamide (CID 109272418) is 5-(4-benzylpiperidin-1-yl)-N-butylpyrazine-2-carboxamide.
What is the SMILES notation for 5-(4-benzylpiperidin-1-yl)-N-butylpyrazine-2-carboxamide?
The canonical SMILES for 5-(4-benzylpiperidin-1-yl)-N-butylpyrazine-2-carboxamide is CCCCNC(=O)c1cnc(N2CCC(Cc3ccccc3)CC2)cn1.
What is the InChIKey of 5-(4-benzylpiperidin-1-yl)-N-butylpyrazine-2-carboxamide?
The InChIKey is YKBQKGOJMUWGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-2-3-11-22-21(26)19-15-24-20(16-23-19)25-12-9-18(10-13-25)14-17-7-5-4-6-8-17/h4-8,15-16,18H,2-3,9-14H2,1H3,(H,22,26).
What are the key properties of 5-(4-benzylpiperidin-1-yl)-N-butylpyrazine-2-carboxamide?
5-(4-benzylpiperidin-1-yl)-N-butylpyrazine-2-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-benzylpiperidin-1-yl)-N-butylpyrazine-2-carboxamide is sourced from PubChem (CID 109272418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).