3-[4-(2-hydroxyethoxy)piperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one

C15H25N3O3 — CID 82685587

IUPAC3-[4-(2-hydroxyethoxy)piperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one
SMILESCC(C)Cn1ccnc(N2CCC(OCCO)CC2)c1=O
InChIInChI=1S/C15H25N3O3/c1-12(2)11-18-8-5-16-14(15(18)20)17-6-3-13(4-7-17)21-10-9-19/h5,8,12-13,19H,3-4,6-7,9-11H2,1-2H3
InChIKeySUWFFLWNMHNBNE-UHFFFAOYSA-N
MW295.38 g/mol
LogP0.88
Rot. Bonds6

About 3-[4-(2-hydroxyethoxy)piperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one

3-[4-(2-hydroxyethoxy)piperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one (PubChem CID 82685587) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 3-[4-(2-hydroxyethoxy)piperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one.

Molecular Properties

Compound Name3-[4-(2-hydroxyethoxy)piperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one
PubChem CID82685587
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name3-[4-(2-hydroxyethoxy)piperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one
SMILESCC(C)Cn1ccnc(N2CCC(OCCO)CC2)c1=O
InChIInChI=1S/C15H25N3O3/c1-12(2)11-18-8-5-16-14(15(18)20)17-6-3-13(4-7-17)21-10-9-19/h5,8,12-13,19H,3-4,6-7,9-11H2,1-2H3
InChIKeySUWFFLWNMHNBNE-UHFFFAOYSA-N
XLogP0.88
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-hydroxyethoxy)piperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one?
The IUPAC name of 3-[4-(2-hydroxyethoxy)piperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one (CID 82685587) is 3-[4-(2-hydroxyethoxy)piperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one.
What is the SMILES notation for 3-[4-(2-hydroxyethoxy)piperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one?
The canonical SMILES for 3-[4-(2-hydroxyethoxy)piperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one is CC(C)Cn1ccnc(N2CCC(OCCO)CC2)c1=O.
What is the InChIKey of 3-[4-(2-hydroxyethoxy)piperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one?
The InChIKey is SUWFFLWNMHNBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-12(2)11-18-8-5-16-14(15(18)20)17-6-3-13(4-7-17)21-10-9-19/h5,8,12-13,19H,3-4,6-7,9-11H2,1-2H3.
What are the key properties of 3-[4-(2-hydroxyethoxy)piperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one?
3-[4-(2-hydroxyethoxy)piperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one has a molecular weight of 295.38 g/mol, XLogP of 0.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-hydroxyethoxy)piperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one is sourced from PubChem (CID 82685587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).