5-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]pyrazine-2-carboxylic acid

C19H25N5O2 — CID 122053623

IUPAC5-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]pyrazine-2-carboxylic acid
SMILESCN(CCN1CCN(c2cnc(C(=O)O)cn2)CC1)Cc1ccccc1
InChIInChI=1S/C19H25N5O2/c1-22(15-16-5-3-2-4-6-16)7-8-23-9-11-24(12-10-23)18-14-20-17(13-21-18)19(25)26/h2-6,13-14H,7-12,15H2,1H3,(H,25,26)
InChIKeyGPFJKICAXCHTTL-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.43
Rot. Bonds7

About 5-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]pyrazine-2-carboxylic acid

5-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]pyrazine-2-carboxylic acid (PubChem CID 122053623) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 5-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]pyrazine-2-carboxylic acid
PubChem CID122053623
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name5-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]pyrazine-2-carboxylic acid
SMILESCN(CCN1CCN(c2cnc(C(=O)O)cn2)CC1)Cc1ccccc1
InChIInChI=1S/C19H25N5O2/c1-22(15-16-5-3-2-4-6-16)7-8-23-9-11-24(12-10-23)18-14-20-17(13-21-18)19(25)26/h2-6,13-14H,7-12,15H2,1H3,(H,25,26)
InChIKeyGPFJKICAXCHTTL-UHFFFAOYSA-N
XLogP1.43
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-[benzyl(methyl)carbamoyl]piperazin-1-yl]pyrazine-2-carboxylic acid
CID 122053119
5-(azepan-1-yl)-N-benzyl-N-methylpyrazine-2-carboxamide
CID 109281067
5-(4-methylpiperazin-1-yl)pyrazine-2-carboxylic acid;dihydrochloride
CID 170916735
[5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 109278104
[5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109278450
2-(azepan-1-yl)-N-benzyl-N-methylethanamine
CID 54806241
5-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrazine-2-carboxylic acid
CID 122047593
5-(4-benzyl-3,3-dimethylpiperazin-1-yl)pyrazine-2-carboxylic acid
CID 122048029
azepan-1-yl-[5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]methanone
CID 109285483
2-(4-aminophenyl)-1-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]ethanone
CID 119878570
[5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]-(2,3-dihydroindol-1-yl)methanone
CID 109285489
5-(4-benzylpiperazin-1-yl)-N-(2-methylpropyl)pyrazine-2-carboxamide
CID 109272774

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]pyrazine-2-carboxylic acid (CID 122053623) is 5-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]pyrazine-2-carboxylic acid is CN(CCN1CCN(c2cnc(C(=O)O)cn2)CC1)Cc1ccccc1.
What is the InChIKey of 5-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]pyrazine-2-carboxylic acid?
The InChIKey is GPFJKICAXCHTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-22(15-16-5-3-2-4-6-16)7-8-23-9-11-24(12-10-23)18-14-20-17(13-21-18)19(25)26/h2-6,13-14H,7-12,15H2,1H3,(H,25,26).
What are the key properties of 5-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]pyrazine-2-carboxylic acid?
5-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]pyrazine-2-carboxylic acid has a molecular weight of 355.44 g/mol, XLogP of 1.43, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 122053623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).