1-[3-amino-6-(3-hydroxyphenyl)pyrazin-2-yl]piperidine-4-carboxylic acid

C16H18N4O3 — CID 126472433

IUPAC1-[3-amino-6-(3-hydroxyphenyl)pyrazin-2-yl]piperidine-4-carboxylic acid
SMILESNc1ncc(-c2cccc(O)c2)nc1N1CCC(C(=O)O)CC1
InChIInChI=1S/C16H18N4O3/c17-14-15(20-6-4-10(5-7-20)16(22)23)19-13(9-18-14)11-2-1-3-12(21)8-11/h1-3,8-10,21H,4-7H2,(H2,17,18)(H,22,23)
InChIKeyLMCNZPRFKJVUIS-UHFFFAOYSA-N
MW314.34 g/mol
LogP1.73
Rot. Bonds3

About 1-[3-amino-6-(3-hydroxyphenyl)pyrazin-2-yl]piperidine-4-carboxylic acid

1-[3-amino-6-(3-hydroxyphenyl)pyrazin-2-yl]piperidine-4-carboxylic acid (PubChem CID 126472433) has the molecular formula C16H18N4O3 and a molecular weight of 314.34 g/mol. Its IUPAC name is 1-[3-amino-6-(3-hydroxyphenyl)pyrazin-2-yl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[3-amino-6-(3-hydroxyphenyl)pyrazin-2-yl]piperidine-4-carboxylic acid
PubChem CID126472433
Molecular FormulaC16H18N4O3
Molecular Weight314.34 g/mol
Exact Mass314.14
IUPAC Name1-[3-amino-6-(3-hydroxyphenyl)pyrazin-2-yl]piperidine-4-carboxylic acid
SMILESNc1ncc(-c2cccc(O)c2)nc1N1CCC(C(=O)O)CC1
InChIInChI=1S/C16H18N4O3/c17-14-15(20-6-4-10(5-7-20)16(22)23)19-13(9-18-14)11-2-1-3-12(21)8-11/h1-3,8-10,21H,4-7H2,(H2,17,18)(H,22,23)
InChIKeyLMCNZPRFKJVUIS-UHFFFAOYSA-N
XLogP1.73
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-6-(3-hydroxyphenyl)pyrazin-2-yl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[3-amino-6-(3-hydroxyphenyl)pyrazin-2-yl]piperidine-4-carboxylic acid (CID 126472433) is 1-[3-amino-6-(3-hydroxyphenyl)pyrazin-2-yl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[3-amino-6-(3-hydroxyphenyl)pyrazin-2-yl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[3-amino-6-(3-hydroxyphenyl)pyrazin-2-yl]piperidine-4-carboxylic acid is Nc1ncc(-c2cccc(O)c2)nc1N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[3-amino-6-(3-hydroxyphenyl)pyrazin-2-yl]piperidine-4-carboxylic acid?
The InChIKey is LMCNZPRFKJVUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c17-14-15(20-6-4-10(5-7-20)16(22)23)19-13(9-18-14)11-2-1-3-12(21)8-11/h1-3,8-10,21H,4-7H2,(H2,17,18)(H,22,23).
What are the key properties of 1-[3-amino-6-(3-hydroxyphenyl)pyrazin-2-yl]piperidine-4-carboxylic acid?
1-[3-amino-6-(3-hydroxyphenyl)pyrazin-2-yl]piperidine-4-carboxylic acid has a molecular weight of 314.34 g/mol, XLogP of 1.73, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-6-(3-hydroxyphenyl)pyrazin-2-yl]piperidine-4-carboxylic acid is sourced from PubChem (CID 126472433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).