N-(2-ethylphenyl)-2-[4-(pyrazine-2-carbonyl)piperazin-1-ium-1-yl]acetamide

C19H24N5O2+ — CID 9022188

IUPACN-(2-ethylphenyl)-2-[4-(pyrazine-2-carbonyl)piperazin-1-ium-1-yl]acetamide
SMILESCCc1ccccc1NC(=O)C[NH+]1CCN(C(=O)c2cnccn2)CC1
InChIInChI=1S/C19H23N5O2/c1-2-15-5-3-4-6-16(15)22-18(25)14-23-9-11-24(12-10-23)19(26)17-13-20-7-8-21-17/h3-8,13H,2,9-12,14H2,1H3,(H,22,25)/p+1
InChIKeyKNOXHPJRBWJOST-UHFFFAOYSA-O
MW354.43 g/mol
LogP0.02
Rot. Bonds5

About N-(2-ethylphenyl)-2-[4-(pyrazine-2-carbonyl)piperazin-1-ium-1-yl]acetamide

N-(2-ethylphenyl)-2-[4-(pyrazine-2-carbonyl)piperazin-1-ium-1-yl]acetamide (PubChem CID 9022188) has the molecular formula C19H24N5O2+ and a molecular weight of 354.43 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-[4-(pyrazine-2-carbonyl)piperazin-1-ium-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-[4-(pyrazine-2-carbonyl)piperazin-1-ium-1-yl]acetamide
PubChem CID9022188
Molecular FormulaC19H24N5O2+
Molecular Weight354.43 g/mol
Exact Mass354.19
IUPAC NameN-(2-ethylphenyl)-2-[4-(pyrazine-2-carbonyl)piperazin-1-ium-1-yl]acetamide
SMILESCCc1ccccc1NC(=O)C[NH+]1CCN(C(=O)c2cnccn2)CC1
InChIInChI=1S/C19H23N5O2/c1-2-15-5-3-4-6-16(15)22-18(25)14-23-9-11-24(12-10-23)19(26)17-13-20-7-8-21-17/h3-8,13H,2,9-12,14H2,1H3,(H,22,25)/p+1
InChIKeyKNOXHPJRBWJOST-UHFFFAOYSA-O
XLogP0.02
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(pyrazine-2-carbonyl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9429520
N-(2-ethylphenyl)-2-[4-[(1R,2S)-2-methylcyclopropanecarbonyl]piperazin-1-ium-1-yl]acetamide
CID 9022236
2-[4-(3,4-dimethylbenzoyl)piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide
CID 9022256
2-[4-[2-(azocan-1-ium-1-yl)acetyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide
CID 8679883
N-[2-(2-ethylanilino)-2-oxoethyl]pyrazine-2-carboxamide
CID 27762226
N-(2-ethylphenyl)-2-[4-(3-methylbutanoyl)piperazin-1-ium-1-yl]acetamide
CID 9022182
2-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide
CID 9022344
N-(2-ethylphenyl)-2-[4-(2-methylprop-2-enyl)piperazine-1,4-diium-1-yl]acetamide
CID 8773219
N-(2-ethylphenyl)-2-[4-[4-(propan-2-yloxymethyl)benzoyl]piperazin-1-ium-1-yl]acetamide
CID 9022482
N-(2-ethylphenyl)-2-[4-(5-methyl-4-propylthiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide
CID 9370219
2-[4-[2-(4-acetamidophenyl)acetyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide
CID 8745911
N-(2-ethylphenyl)-2-[4-(2-oxochromene-3-carbonyl)piperazin-1-ium-1-yl]acetamide
CID 9022254

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-[4-(pyrazine-2-carbonyl)piperazin-1-ium-1-yl]acetamide?
The IUPAC name of N-(2-ethylphenyl)-2-[4-(pyrazine-2-carbonyl)piperazin-1-ium-1-yl]acetamide (CID 9022188) is N-(2-ethylphenyl)-2-[4-(pyrazine-2-carbonyl)piperazin-1-ium-1-yl]acetamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-[4-(pyrazine-2-carbonyl)piperazin-1-ium-1-yl]acetamide?
The canonical SMILES for N-(2-ethylphenyl)-2-[4-(pyrazine-2-carbonyl)piperazin-1-ium-1-yl]acetamide is CCc1ccccc1NC(=O)C[NH+]1CCN(C(=O)c2cnccn2)CC1.
What is the InChIKey of N-(2-ethylphenyl)-2-[4-(pyrazine-2-carbonyl)piperazin-1-ium-1-yl]acetamide?
The InChIKey is KNOXHPJRBWJOST-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H23N5O2/c1-2-15-5-3-4-6-16(15)22-18(25)14-23-9-11-24(12-10-23)19(26)17-13-20-7-8-21-17/h3-8,13H,2,9-12,14H2,1H3,(H,22,25)/p+1.
What are the key properties of N-(2-ethylphenyl)-2-[4-(pyrazine-2-carbonyl)piperazin-1-ium-1-yl]acetamide?
N-(2-ethylphenyl)-2-[4-(pyrazine-2-carbonyl)piperazin-1-ium-1-yl]acetamide has a molecular weight of 354.43 g/mol, XLogP of 0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-[4-(pyrazine-2-carbonyl)piperazin-1-ium-1-yl]acetamide is sourced from PubChem (CID 9022188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).