(3-amino-6-piperidin-4-ylpyrazin-2-yl) acetate

C11H16N4O2 — CID 174774887

IUPAC(3-amino-6-piperidin-4-ylpyrazin-2-yl) acetate
SMILESCC(=O)Oc1nc(C2CCNCC2)cnc1N
InChIInChI=1S/C11H16N4O2/c1-7(16)17-11-10(12)14-6-9(15-11)8-2-4-13-5-3-8/h6,8,13H,2-5H2,1H3,(H2,12,14)
InChIKeyCLNWIMKYGVIIDM-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.45
Rot. Bonds2

About (3-amino-6-piperidin-4-ylpyrazin-2-yl) acetate

(3-amino-6-piperidin-4-ylpyrazin-2-yl) acetate (PubChem CID 174774887) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is (3-amino-6-piperidin-4-ylpyrazin-2-yl) acetate.

Molecular Properties

Compound Name(3-amino-6-piperidin-4-ylpyrazin-2-yl) acetate
PubChem CID174774887
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name(3-amino-6-piperidin-4-ylpyrazin-2-yl) acetate
SMILESCC(=O)Oc1nc(C2CCNCC2)cnc1N
InChIInChI=1S/C11H16N4O2/c1-7(16)17-11-10(12)14-6-9(15-11)8-2-4-13-5-3-8/h6,8,13H,2-5H2,1H3,(H2,12,14)
InChIKeyCLNWIMKYGVIIDM-UHFFFAOYSA-N
XLogP0.45
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-amino-6-piperidin-4-ylpyrazin-2-yl) acetate?
The IUPAC name of (3-amino-6-piperidin-4-ylpyrazin-2-yl) acetate (CID 174774887) is (3-amino-6-piperidin-4-ylpyrazin-2-yl) acetate.
What is the SMILES notation for (3-amino-6-piperidin-4-ylpyrazin-2-yl) acetate?
The canonical SMILES for (3-amino-6-piperidin-4-ylpyrazin-2-yl) acetate is CC(=O)Oc1nc(C2CCNCC2)cnc1N.
What is the InChIKey of (3-amino-6-piperidin-4-ylpyrazin-2-yl) acetate?
The InChIKey is CLNWIMKYGVIIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-7(16)17-11-10(12)14-6-9(15-11)8-2-4-13-5-3-8/h6,8,13H,2-5H2,1H3,(H2,12,14).
What are the key properties of (3-amino-6-piperidin-4-ylpyrazin-2-yl) acetate?
(3-amino-6-piperidin-4-ylpyrazin-2-yl) acetate has a molecular weight of 236.27 g/mol, XLogP of 0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-6-piperidin-4-ylpyrazin-2-yl) acetate is sourced from PubChem (CID 174774887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).