5-(4-benzyl-3,3-dimethylpiperazin-1-yl)pyrazine-2-carboxylic acid

C18H22N4O2 — CID 122048029

IUPAC5-(4-benzyl-3,3-dimethylpiperazin-1-yl)pyrazine-2-carboxylic acid
SMILESCC1(C)CN(c2cnc(C(=O)O)cn2)CCN1Cc1ccccc1
InChIInChI=1S/C18H22N4O2/c1-18(2)13-21(16-11-19-15(10-20-16)17(23)24)8-9-22(18)12-14-6-4-3-5-7-14/h3-7,10-11H,8-9,12-13H2,1-2H3,(H,23,24)
InChIKeyMUSZCDBHHIJXPC-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.28
Rot. Bonds4

About 5-(4-benzyl-3,3-dimethylpiperazin-1-yl)pyrazine-2-carboxylic acid

5-(4-benzyl-3,3-dimethylpiperazin-1-yl)pyrazine-2-carboxylic acid (PubChem CID 122048029) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 5-(4-benzyl-3,3-dimethylpiperazin-1-yl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-benzyl-3,3-dimethylpiperazin-1-yl)pyrazine-2-carboxylic acid
PubChem CID122048029
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name5-(4-benzyl-3,3-dimethylpiperazin-1-yl)pyrazine-2-carboxylic acid
SMILESCC1(C)CN(c2cnc(C(=O)O)cn2)CCN1Cc1ccccc1
InChIInChI=1S/C18H22N4O2/c1-18(2)13-21(16-11-19-15(10-20-16)17(23)24)8-9-22(18)12-14-6-4-3-5-7-14/h3-7,10-11H,8-9,12-13H2,1-2H3,(H,23,24)
InChIKeyMUSZCDBHHIJXPC-UHFFFAOYSA-N
XLogP2.28
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-benzyl-3,3-dimethylpiperazin-1-yl)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133329443
5-[4-[benzyl(methyl)carbamoyl]piperazin-1-yl]pyrazine-2-carboxylic acid
CID 122053119
5-(azetidin-1-yl)pyrazine-2-carboxylic acid
CID 117102504
[5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109278450
[5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 109278104
5-(3-carboxy-3-methylpyrrolidin-1-yl)pyrazine-2-carboxylic acid
CID 122052353
2-(4-benzyl-3,3-dimethylpiperazin-1-yl)propanoic acid
CID 119135339
1-(4-benzyl-3,3-dimethylpiperazin-1-yl)-2-methylpropan-1-one
CID 167400886
5-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrazine-2-carboxylic acid
CID 122047593
azepan-1-yl-[5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]methanone
CID 109285483
5-(4-methylpiperazin-1-yl)pyrazine-2-carboxylic acid;dihydrochloride
CID 170916735
5-[4-(hydroxymethyl)-4-phenylpiperidin-1-yl]pyrazine-2-carboxylic acid
CID 122057709

Frequently Asked Questions

What is the IUPAC name of 5-(4-benzyl-3,3-dimethylpiperazin-1-yl)pyrazine-2-carboxylic acid?
The IUPAC name of 5-(4-benzyl-3,3-dimethylpiperazin-1-yl)pyrazine-2-carboxylic acid (CID 122048029) is 5-(4-benzyl-3,3-dimethylpiperazin-1-yl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-(4-benzyl-3,3-dimethylpiperazin-1-yl)pyrazine-2-carboxylic acid?
The canonical SMILES for 5-(4-benzyl-3,3-dimethylpiperazin-1-yl)pyrazine-2-carboxylic acid is CC1(C)CN(c2cnc(C(=O)O)cn2)CCN1Cc1ccccc1.
What is the InChIKey of 5-(4-benzyl-3,3-dimethylpiperazin-1-yl)pyrazine-2-carboxylic acid?
The InChIKey is MUSZCDBHHIJXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-18(2)13-21(16-11-19-15(10-20-16)17(23)24)8-9-22(18)12-14-6-4-3-5-7-14/h3-7,10-11H,8-9,12-13H2,1-2H3,(H,23,24).
What are the key properties of 5-(4-benzyl-3,3-dimethylpiperazin-1-yl)pyrazine-2-carboxylic acid?
5-(4-benzyl-3,3-dimethylpiperazin-1-yl)pyrazine-2-carboxylic acid has a molecular weight of 326.40 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-benzyl-3,3-dimethylpiperazin-1-yl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 122048029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).