2-(2-hydroxy-1-methylpiperidin-1-ium-1-yl)-N-pyrazin-2-ylacetamide

C12H19N4O2+ — CID 87800788

IUPAC2-(2-hydroxy-1-methylpiperidin-1-ium-1-yl)-N-pyrazin-2-ylacetamide
SMILESC[N+]1(CC(=O)Nc2cnccn2)CCCCC1O
InChIInChI=1S/C12H18N4O2/c1-16(7-3-2-4-12(16)18)9-11(17)15-10-8-13-5-6-14-10/h5-6,8,12,18H,2-4,7,9H2,1H3/p+1
InChIKeyAJVGVRUJSHCMEC-UHFFFAOYSA-O
MW251.31 g/mol
LogP0.36
Rot. Bonds3

About 2-(2-hydroxy-1-methylpiperidin-1-ium-1-yl)-N-pyrazin-2-ylacetamide

2-(2-hydroxy-1-methylpiperidin-1-ium-1-yl)-N-pyrazin-2-ylacetamide (PubChem CID 87800788) has the molecular formula C12H19N4O2+ and a molecular weight of 251.31 g/mol. Its IUPAC name is 2-(2-hydroxy-1-methylpiperidin-1-ium-1-yl)-N-pyrazin-2-ylacetamide.

Molecular Properties

Compound Name2-(2-hydroxy-1-methylpiperidin-1-ium-1-yl)-N-pyrazin-2-ylacetamide
PubChem CID87800788
Molecular FormulaC12H19N4O2+
Molecular Weight251.31 g/mol
Exact Mass251.15
IUPAC Name2-(2-hydroxy-1-methylpiperidin-1-ium-1-yl)-N-pyrazin-2-ylacetamide
SMILESC[N+]1(CC(=O)Nc2cnccn2)CCCCC1O
InChIInChI=1S/C12H18N4O2/c1-16(7-3-2-4-12(16)18)9-11(17)15-10-8-13-5-6-14-10/h5-6,8,12,18H,2-4,7,9H2,1H3/p+1
InChIKeyAJVGVRUJSHCMEC-UHFFFAOYSA-O
XLogP0.36
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-1-methylpiperidin-1-ium-1-yl)-N-pyrazin-2-ylacetamide?
The IUPAC name of 2-(2-hydroxy-1-methylpiperidin-1-ium-1-yl)-N-pyrazin-2-ylacetamide (CID 87800788) is 2-(2-hydroxy-1-methylpiperidin-1-ium-1-yl)-N-pyrazin-2-ylacetamide.
What is the SMILES notation for 2-(2-hydroxy-1-methylpiperidin-1-ium-1-yl)-N-pyrazin-2-ylacetamide?
The canonical SMILES for 2-(2-hydroxy-1-methylpiperidin-1-ium-1-yl)-N-pyrazin-2-ylacetamide is C[N+]1(CC(=O)Nc2cnccn2)CCCCC1O.
What is the InChIKey of 2-(2-hydroxy-1-methylpiperidin-1-ium-1-yl)-N-pyrazin-2-ylacetamide?
The InChIKey is AJVGVRUJSHCMEC-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H18N4O2/c1-16(7-3-2-4-12(16)18)9-11(17)15-10-8-13-5-6-14-10/h5-6,8,12,18H,2-4,7,9H2,1H3/p+1.
What are the key properties of 2-(2-hydroxy-1-methylpiperidin-1-ium-1-yl)-N-pyrazin-2-ylacetamide?
2-(2-hydroxy-1-methylpiperidin-1-ium-1-yl)-N-pyrazin-2-ylacetamide has a molecular weight of 251.31 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-1-methylpiperidin-1-ium-1-yl)-N-pyrazin-2-ylacetamide is sourced from PubChem (CID 87800788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).