3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]pyrazine-2-carboxylic acid

C12H16N4O4 — CID 2809927

IUPAC3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1C(=O)N1CCN(CCO)CC1
InChIInChI=1S/C12H16N4O4/c17-8-7-15-3-5-16(6-4-15)11(18)9-10(12(19)20)14-2-1-13-9/h1-2,17H,3-8H2,(H,19,20)
InChIKeyUACMXJMALJEJFD-UHFFFAOYSA-N
MW280.28 g/mol
LogP-1.08
Rot. Bonds4

About 3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]pyrazine-2-carboxylic acid

3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]pyrazine-2-carboxylic acid (PubChem CID 2809927) has the molecular formula C12H16N4O4 and a molecular weight of 280.28 g/mol. Its IUPAC name is 3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]pyrazine-2-carboxylic acid
PubChem CID2809927
Molecular FormulaC12H16N4O4
Molecular Weight280.28 g/mol
Exact Mass280.12
IUPAC Name3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1C(=O)N1CCN(CCO)CC1
InChIInChI=1S/C12H16N4O4/c17-8-7-15-3-5-16(6-4-15)11(18)9-10(12(19)20)14-2-1-13-9/h1-2,17H,3-8H2,(H,19,20)
InChIKeyUACMXJMALJEJFD-UHFFFAOYSA-N
XLogP-1.08
TPSA106.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 5-1.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]pyrazine-2-carboxylic acid (CID 2809927) is 3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]pyrazine-2-carboxylic acid is O=C(O)c1nccnc1C(=O)N1CCN(CCO)CC1.
What is the InChIKey of 3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]pyrazine-2-carboxylic acid?
The InChIKey is UACMXJMALJEJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O4/c17-8-7-15-3-5-16(6-4-15)11(18)9-10(12(19)20)14-2-1-13-9/h1-2,17H,3-8H2,(H,19,20).
What are the key properties of 3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]pyrazine-2-carboxylic acid?
3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]pyrazine-2-carboxylic acid has a molecular weight of 280.28 g/mol, XLogP of -1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 2809927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).