2-acetyl-2-(ethylamino)-4-pyrazin-2-ylpiperazine-1-carboxylic acid

C13H19N5O3 — CID 69365488

IUPAC2-acetyl-2-(ethylamino)-4-pyrazin-2-ylpiperazine-1-carboxylic acid
SMILESCCNC1(C(C)=O)CN(c2cnccn2)CCN1C(=O)O
InChIInChI=1S/C13H19N5O3/c1-3-16-13(10(2)19)9-17(6-7-18(13)12(20)21)11-8-14-4-5-15-11/h4-5,8,16H,3,6-7,9H2,1-2H3,(H,20,21)
InChIKeyCJJMWRBTGGXUCK-UHFFFAOYSA-N
MW293.33 g/mol
LogP0.17
Rot. Bonds4

About 2-acetyl-2-(ethylamino)-4-pyrazin-2-ylpiperazine-1-carboxylic acid

2-acetyl-2-(ethylamino)-4-pyrazin-2-ylpiperazine-1-carboxylic acid (PubChem CID 69365488) has the molecular formula C13H19N5O3 and a molecular weight of 293.33 g/mol. Its IUPAC name is 2-acetyl-2-(ethylamino)-4-pyrazin-2-ylpiperazine-1-carboxylic acid.

Molecular Properties

Compound Name2-acetyl-2-(ethylamino)-4-pyrazin-2-ylpiperazine-1-carboxylic acid
PubChem CID69365488
Molecular FormulaC13H19N5O3
Molecular Weight293.33 g/mol
Exact Mass293.15
IUPAC Name2-acetyl-2-(ethylamino)-4-pyrazin-2-ylpiperazine-1-carboxylic acid
SMILESCCNC1(C(C)=O)CN(c2cnccn2)CCN1C(=O)O
InChIInChI=1S/C13H19N5O3/c1-3-16-13(10(2)19)9-17(6-7-18(13)12(20)21)11-8-14-4-5-15-11/h4-5,8,16H,3,6-7,9H2,1-2H3,(H,20,21)
InChIKeyCJJMWRBTGGXUCK-UHFFFAOYSA-N
XLogP0.17
TPSA98.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-acetyl-2-(ethylamino)-4-pyrazin-2-ylpiperazine-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
CID 60715497
2-ethoxy-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
CID 60712299
3-(2-methoxyethyl)-7-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonane;2,2,2-trifluoroacetic acid
CID 155856398
2-(4-pyrazin-2-ylpiperazin-1-yl)propanoic acid
CID 62311866
1-(4-pyrazin-2-ylpiperazin-1-yl)pentan-1-one
CID 143717135
(2R)-2-chloro-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
CID 93378573
(2S)-2-amino-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one
CID 79024559
2-(2-ethylimidazol-1-yl)-N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]acetamide
CID 124944278
N-(2-methylbutan-2-yl)-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 3222636
N-methyl-N-phenyl-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
CID 18167870
N-ethyl-N-methyl-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 134005797
1,1,3-trimethyl-3-(1-pyrazin-2-ylpiperidin-4-yl)urea
CID 166603322

Frequently Asked Questions

What is the IUPAC name of 2-acetyl-2-(ethylamino)-4-pyrazin-2-ylpiperazine-1-carboxylic acid?
The IUPAC name of 2-acetyl-2-(ethylamino)-4-pyrazin-2-ylpiperazine-1-carboxylic acid (CID 69365488) is 2-acetyl-2-(ethylamino)-4-pyrazin-2-ylpiperazine-1-carboxylic acid.
What is the SMILES notation for 2-acetyl-2-(ethylamino)-4-pyrazin-2-ylpiperazine-1-carboxylic acid?
The canonical SMILES for 2-acetyl-2-(ethylamino)-4-pyrazin-2-ylpiperazine-1-carboxylic acid is CCNC1(C(C)=O)CN(c2cnccn2)CCN1C(=O)O.
What is the InChIKey of 2-acetyl-2-(ethylamino)-4-pyrazin-2-ylpiperazine-1-carboxylic acid?
The InChIKey is CJJMWRBTGGXUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O3/c1-3-16-13(10(2)19)9-17(6-7-18(13)12(20)21)11-8-14-4-5-15-11/h4-5,8,16H,3,6-7,9H2,1-2H3,(H,20,21).
What are the key properties of 2-acetyl-2-(ethylamino)-4-pyrazin-2-ylpiperazine-1-carboxylic acid?
2-acetyl-2-(ethylamino)-4-pyrazin-2-ylpiperazine-1-carboxylic acid has a molecular weight of 293.33 g/mol, XLogP of 0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-2-(ethylamino)-4-pyrazin-2-ylpiperazine-1-carboxylic acid is sourced from PubChem (CID 69365488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).