3-[4-(1-hydroxyethyl)piperidin-1-yl]-1-propan-2-ylpyrazin-2-one

C14H23N3O2 — CID 106837230

IUPAC3-[4-(1-hydroxyethyl)piperidin-1-yl]-1-propan-2-ylpyrazin-2-one
SMILESCC(O)C1CCN(c2nccn(C(C)C)c2=O)CC1
InChIInChI=1S/C14H23N3O2/c1-10(2)17-9-6-15-13(14(17)19)16-7-4-12(5-8-16)11(3)18/h6,9-12,18H,4-5,7-8H2,1-3H3
InChIKeyUAJUSGPWOURXDJ-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.42
Rot. Bonds3

About 3-[4-(1-hydroxyethyl)piperidin-1-yl]-1-propan-2-ylpyrazin-2-one

3-[4-(1-hydroxyethyl)piperidin-1-yl]-1-propan-2-ylpyrazin-2-one (PubChem CID 106837230) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-[4-(1-hydroxyethyl)piperidin-1-yl]-1-propan-2-ylpyrazin-2-one.

Molecular Properties

Compound Name3-[4-(1-hydroxyethyl)piperidin-1-yl]-1-propan-2-ylpyrazin-2-one
PubChem CID106837230
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name3-[4-(1-hydroxyethyl)piperidin-1-yl]-1-propan-2-ylpyrazin-2-one
SMILESCC(O)C1CCN(c2nccn(C(C)C)c2=O)CC1
InChIInChI=1S/C14H23N3O2/c1-10(2)17-9-6-15-13(14(17)19)16-7-4-12(5-8-16)11(3)18/h6,9-12,18H,4-5,7-8H2,1-3H3
InChIKeyUAJUSGPWOURXDJ-UHFFFAOYSA-N
XLogP1.42
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-hydroxyethyl)piperidin-1-yl]-1-propan-2-ylpyrazin-2-one?
The IUPAC name of 3-[4-(1-hydroxyethyl)piperidin-1-yl]-1-propan-2-ylpyrazin-2-one (CID 106837230) is 3-[4-(1-hydroxyethyl)piperidin-1-yl]-1-propan-2-ylpyrazin-2-one.
What is the SMILES notation for 3-[4-(1-hydroxyethyl)piperidin-1-yl]-1-propan-2-ylpyrazin-2-one?
The canonical SMILES for 3-[4-(1-hydroxyethyl)piperidin-1-yl]-1-propan-2-ylpyrazin-2-one is CC(O)C1CCN(c2nccn(C(C)C)c2=O)CC1.
What is the InChIKey of 3-[4-(1-hydroxyethyl)piperidin-1-yl]-1-propan-2-ylpyrazin-2-one?
The InChIKey is UAJUSGPWOURXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10(2)17-9-6-15-13(14(17)19)16-7-4-12(5-8-16)11(3)18/h6,9-12,18H,4-5,7-8H2,1-3H3.
What are the key properties of 3-[4-(1-hydroxyethyl)piperidin-1-yl]-1-propan-2-ylpyrazin-2-one?
3-[4-(1-hydroxyethyl)piperidin-1-yl]-1-propan-2-ylpyrazin-2-one has a molecular weight of 265.36 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-hydroxyethyl)piperidin-1-yl]-1-propan-2-ylpyrazin-2-one is sourced from PubChem (CID 106837230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).