5-[2-(2-hydroxyethyl)piperidine-1-carbonyl]-1H-pyrazin-2-one

C12H17N3O3 — CID 54878578

IUPAC5-[2-(2-hydroxyethyl)piperidine-1-carbonyl]-1H-pyrazin-2-one
SMILESO=C(c1c[nH]c(=O)cn1)N1CCCCC1CCO
InChIInChI=1S/C12H17N3O3/c16-6-4-9-3-1-2-5-15(9)12(18)10-7-14-11(17)8-13-10/h7-9,16H,1-6H2,(H,14,17)
InChIKeyAAXUTWSUBXMUSS-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.15
Rot. Bonds3

About 5-[2-(2-hydroxyethyl)piperidine-1-carbonyl]-1H-pyrazin-2-one

5-[2-(2-hydroxyethyl)piperidine-1-carbonyl]-1H-pyrazin-2-one (PubChem CID 54878578) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 5-[2-(2-hydroxyethyl)piperidine-1-carbonyl]-1H-pyrazin-2-one.

Molecular Properties

Compound Name5-[2-(2-hydroxyethyl)piperidine-1-carbonyl]-1H-pyrazin-2-one
PubChem CID54878578
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name5-[2-(2-hydroxyethyl)piperidine-1-carbonyl]-1H-pyrazin-2-one
SMILESO=C(c1c[nH]c(=O)cn1)N1CCCCC1CCO
InChIInChI=1S/C12H17N3O3/c16-6-4-9-3-1-2-5-15(9)12(18)10-7-14-11(17)8-13-10/h7-9,16H,1-6H2,(H,14,17)
InChIKeyAAXUTWSUBXMUSS-UHFFFAOYSA-N
XLogP0.15
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-hydroxyethyl)piperidine-1-carbonyl]-1H-pyrazin-2-one?
The IUPAC name of 5-[2-(2-hydroxyethyl)piperidine-1-carbonyl]-1H-pyrazin-2-one (CID 54878578) is 5-[2-(2-hydroxyethyl)piperidine-1-carbonyl]-1H-pyrazin-2-one.
What is the SMILES notation for 5-[2-(2-hydroxyethyl)piperidine-1-carbonyl]-1H-pyrazin-2-one?
The canonical SMILES for 5-[2-(2-hydroxyethyl)piperidine-1-carbonyl]-1H-pyrazin-2-one is O=C(c1c[nH]c(=O)cn1)N1CCCCC1CCO.
What is the InChIKey of 5-[2-(2-hydroxyethyl)piperidine-1-carbonyl]-1H-pyrazin-2-one?
The InChIKey is AAXUTWSUBXMUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c16-6-4-9-3-1-2-5-15(9)12(18)10-7-14-11(17)8-13-10/h7-9,16H,1-6H2,(H,14,17).
What are the key properties of 5-[2-(2-hydroxyethyl)piperidine-1-carbonyl]-1H-pyrazin-2-one?
5-[2-(2-hydroxyethyl)piperidine-1-carbonyl]-1H-pyrazin-2-one has a molecular weight of 251.29 g/mol, XLogP of 0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-hydroxyethyl)piperidine-1-carbonyl]-1H-pyrazin-2-one is sourced from PubChem (CID 54878578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).