2-(1-acetylpiperidin-3-yl)-4-hydroxy-1H-pyrimidin-6-one

C11H15N3O3 — CID 154942949

IUPAC2-(1-acetylpiperidin-3-yl)-4-hydroxy-1H-pyrimidin-6-one
SMILESCC(=O)N1CCCC(c2nc(O)cc(=O)[nH]2)C1
InChIInChI=1S/C11H15N3O3/c1-7(15)14-4-2-3-8(6-14)11-12-9(16)5-10(17)13-11/h5,8H,2-4,6H2,1H3,(H2,12,13,16,17)
InChIKeyMGBJFQBTYYGWJI-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.20
Rot. Bonds1

About 2-(1-acetylpiperidin-3-yl)-4-hydroxy-1H-pyrimidin-6-one

2-(1-acetylpiperidin-3-yl)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 154942949) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-(1-acetylpiperidin-3-yl)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-acetylpiperidin-3-yl)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID154942949
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name2-(1-acetylpiperidin-3-yl)-4-hydroxy-1H-pyrimidin-6-one
SMILESCC(=O)N1CCCC(c2nc(O)cc(=O)[nH]2)C1
InChIInChI=1S/C11H15N3O3/c1-7(15)14-4-2-3-8(6-14)11-12-9(16)5-10(17)13-11/h5,8H,2-4,6H2,1H3,(H2,12,13,16,17)
InChIKeyMGBJFQBTYYGWJI-UHFFFAOYSA-N
XLogP0.20
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-acetylpiperidin-3-yl)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-acetylpiperidin-3-yl)-4-hydroxy-1H-pyrimidin-6-one (CID 154942949) is 2-(1-acetylpiperidin-3-yl)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-acetylpiperidin-3-yl)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-acetylpiperidin-3-yl)-4-hydroxy-1H-pyrimidin-6-one is CC(=O)N1CCCC(c2nc(O)cc(=O)[nH]2)C1.
What is the InChIKey of 2-(1-acetylpiperidin-3-yl)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is MGBJFQBTYYGWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-7(15)14-4-2-3-8(6-14)11-12-9(16)5-10(17)13-11/h5,8H,2-4,6H2,1H3,(H2,12,13,16,17).
What are the key properties of 2-(1-acetylpiperidin-3-yl)-4-hydroxy-1H-pyrimidin-6-one?
2-(1-acetylpiperidin-3-yl)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 237.26 g/mol, XLogP of 0.20, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-acetylpiperidin-3-yl)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 154942949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).