1-[(4-hydroxy-1,3,3-trimethylpiperidin-4-yl)methyl]-5-(1H-pyrazol-5-yl)pyrazin-2-one

C16H23N5O2 — CID 139375399

IUPAC1-[(4-hydroxy-1,3,3-trimethylpiperidin-4-yl)methyl]-5-(1H-pyrazol-5-yl)pyrazin-2-one
SMILESCN1CCC(O)(Cn2cc(-c3ccn[nH]3)ncc2=O)C(C)(C)C1
InChIInChI=1S/C16H23N5O2/c1-15(2)10-20(3)7-5-16(15,23)11-21-9-13(17-8-14(21)22)12-4-6-18-19-12/h4,6,8-9,23H,5,7,10-11H2,1-3H3,(H,18,19)
InChIKeyLZHKPHVXFXLPMA-UHFFFAOYSA-N
MW317.39 g/mol
LogP0.73
Rot. Bonds3

About 1-[(4-hydroxy-1,3,3-trimethylpiperidin-4-yl)methyl]-5-(1H-pyrazol-5-yl)pyrazin-2-one

1-[(4-hydroxy-1,3,3-trimethylpiperidin-4-yl)methyl]-5-(1H-pyrazol-5-yl)pyrazin-2-one (PubChem CID 139375399) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-[(4-hydroxy-1,3,3-trimethylpiperidin-4-yl)methyl]-5-(1H-pyrazol-5-yl)pyrazin-2-one.

Molecular Properties

Compound Name1-[(4-hydroxy-1,3,3-trimethylpiperidin-4-yl)methyl]-5-(1H-pyrazol-5-yl)pyrazin-2-one
PubChem CID139375399
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name1-[(4-hydroxy-1,3,3-trimethylpiperidin-4-yl)methyl]-5-(1H-pyrazol-5-yl)pyrazin-2-one
SMILESCN1CCC(O)(Cn2cc(-c3ccn[nH]3)ncc2=O)C(C)(C)C1
InChIInChI=1S/C16H23N5O2/c1-15(2)10-20(3)7-5-16(15,23)11-21-9-13(17-8-14(21)22)12-4-6-18-19-12/h4,6,8-9,23H,5,7,10-11H2,1-3H3,(H,18,19)
InChIKeyLZHKPHVXFXLPMA-UHFFFAOYSA-N
XLogP0.73
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-hydroxy-1,3,3-trimethylpiperidin-4-yl)methyl]-5-(1H-pyrazol-5-yl)pyrazin-2-one?
The IUPAC name of 1-[(4-hydroxy-1,3,3-trimethylpiperidin-4-yl)methyl]-5-(1H-pyrazol-5-yl)pyrazin-2-one (CID 139375399) is 1-[(4-hydroxy-1,3,3-trimethylpiperidin-4-yl)methyl]-5-(1H-pyrazol-5-yl)pyrazin-2-one.
What is the SMILES notation for 1-[(4-hydroxy-1,3,3-trimethylpiperidin-4-yl)methyl]-5-(1H-pyrazol-5-yl)pyrazin-2-one?
The canonical SMILES for 1-[(4-hydroxy-1,3,3-trimethylpiperidin-4-yl)methyl]-5-(1H-pyrazol-5-yl)pyrazin-2-one is CN1CCC(O)(Cn2cc(-c3ccn[nH]3)ncc2=O)C(C)(C)C1.
What is the InChIKey of 1-[(4-hydroxy-1,3,3-trimethylpiperidin-4-yl)methyl]-5-(1H-pyrazol-5-yl)pyrazin-2-one?
The InChIKey is LZHKPHVXFXLPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-15(2)10-20(3)7-5-16(15,23)11-21-9-13(17-8-14(21)22)12-4-6-18-19-12/h4,6,8-9,23H,5,7,10-11H2,1-3H3,(H,18,19).
What are the key properties of 1-[(4-hydroxy-1,3,3-trimethylpiperidin-4-yl)methyl]-5-(1H-pyrazol-5-yl)pyrazin-2-one?
1-[(4-hydroxy-1,3,3-trimethylpiperidin-4-yl)methyl]-5-(1H-pyrazol-5-yl)pyrazin-2-one has a molecular weight of 317.39 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-hydroxy-1,3,3-trimethylpiperidin-4-yl)methyl]-5-(1H-pyrazol-5-yl)pyrazin-2-one is sourced from PubChem (CID 139375399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).