3-[3-(2-hydroxyethyl)piperidin-1-yl]-1-methylpyrazin-2-one

C12H19N3O2 — CID 55133115

IUPAC3-[3-(2-hydroxyethyl)piperidin-1-yl]-1-methylpyrazin-2-one
SMILESCn1ccnc(N2CCCC(CCO)C2)c1=O
InChIInChI=1S/C12H19N3O2/c1-14-7-5-13-11(12(14)17)15-6-2-3-10(9-15)4-8-16/h5,7,10,16H,2-4,6,8-9H2,1H3
InChIKeyHKNYXHCBMFHXJX-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.38
Rot. Bonds3

About 3-[3-(2-hydroxyethyl)piperidin-1-yl]-1-methylpyrazin-2-one

3-[3-(2-hydroxyethyl)piperidin-1-yl]-1-methylpyrazin-2-one (PubChem CID 55133115) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-[3-(2-hydroxyethyl)piperidin-1-yl]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-[3-(2-hydroxyethyl)piperidin-1-yl]-1-methylpyrazin-2-one
PubChem CID55133115
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name3-[3-(2-hydroxyethyl)piperidin-1-yl]-1-methylpyrazin-2-one
SMILESCn1ccnc(N2CCCC(CCO)C2)c1=O
InChIInChI=1S/C12H19N3O2/c1-14-7-5-13-11(12(14)17)15-6-2-3-10(9-15)4-8-16/h5,7,10,16H,2-4,6,8-9H2,1H3
InChIKeyHKNYXHCBMFHXJX-UHFFFAOYSA-N
XLogP0.38
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-hydroxyethyl)piperidin-1-yl]-1-methylpyrazin-2-one?
The IUPAC name of 3-[3-(2-hydroxyethyl)piperidin-1-yl]-1-methylpyrazin-2-one (CID 55133115) is 3-[3-(2-hydroxyethyl)piperidin-1-yl]-1-methylpyrazin-2-one.
What is the SMILES notation for 3-[3-(2-hydroxyethyl)piperidin-1-yl]-1-methylpyrazin-2-one?
The canonical SMILES for 3-[3-(2-hydroxyethyl)piperidin-1-yl]-1-methylpyrazin-2-one is Cn1ccnc(N2CCCC(CCO)C2)c1=O.
What is the InChIKey of 3-[3-(2-hydroxyethyl)piperidin-1-yl]-1-methylpyrazin-2-one?
The InChIKey is HKNYXHCBMFHXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-14-7-5-13-11(12(14)17)15-6-2-3-10(9-15)4-8-16/h5,7,10,16H,2-4,6,8-9H2,1H3.
What are the key properties of 3-[3-(2-hydroxyethyl)piperidin-1-yl]-1-methylpyrazin-2-one?
3-[3-(2-hydroxyethyl)piperidin-1-yl]-1-methylpyrazin-2-one has a molecular weight of 237.30 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-hydroxyethyl)piperidin-1-yl]-1-methylpyrazin-2-one is sourced from PubChem (CID 55133115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).