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

C14H23N3O2 — CID 55155278

IUPAC3-[2-(hydroxymethyl)piperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one
SMILESCC(C)Cn1ccnc(N2CCCCC2CO)c1=O
InChIInChI=1S/C14H23N3O2/c1-11(2)9-16-8-6-15-13(14(16)19)17-7-4-3-5-12(17)10-18/h6,8,11-12,18H,3-5,7,9-10H2,1-2H3
InChIKeyNXUFCJNDOROJMN-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.25
Rot. Bonds4

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

3-[2-(hydroxymethyl)piperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one (PubChem CID 55155278) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-[2-(hydroxymethyl)piperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one.

Molecular Properties

Compound Name3-[2-(hydroxymethyl)piperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one
PubChem CID55155278
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name3-[2-(hydroxymethyl)piperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one
SMILESCC(C)Cn1ccnc(N2CCCCC2CO)c1=O
InChIInChI=1S/C14H23N3O2/c1-11(2)9-16-8-6-15-13(14(16)19)17-7-4-3-5-12(17)10-18/h6,8,11-12,18H,3-5,7,9-10H2,1-2H3
InChIKeyNXUFCJNDOROJMN-UHFFFAOYSA-N
XLogP1.25
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(hydroxymethyl)piperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one?
The IUPAC name of 3-[2-(hydroxymethyl)piperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one (CID 55155278) is 3-[2-(hydroxymethyl)piperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one.
What is the SMILES notation for 3-[2-(hydroxymethyl)piperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one?
The canonical SMILES for 3-[2-(hydroxymethyl)piperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one is CC(C)Cn1ccnc(N2CCCCC2CO)c1=O.
What is the InChIKey of 3-[2-(hydroxymethyl)piperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one?
The InChIKey is NXUFCJNDOROJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-11(2)9-16-8-6-15-13(14(16)19)17-7-4-3-5-12(17)10-18/h6,8,11-12,18H,3-5,7,9-10H2,1-2H3.
What are the key properties of 3-[2-(hydroxymethyl)piperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one?
3-[2-(hydroxymethyl)piperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one has a molecular weight of 265.36 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(hydroxymethyl)piperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one is sourced from PubChem (CID 55155278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).