3-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]pyrimidin-4-one

C11H13N3O3 — CID 63769546

IUPAC3-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]pyrimidin-4-one
SMILESO=C1CCN(C(=O)Cn2cnccc2=O)CC1
InChIInChI=1S/C11H13N3O3/c15-9-2-5-13(6-3-9)11(17)7-14-8-12-4-1-10(14)16/h1,4,8H,2-3,5-7H2
InChIKeyCKGGMSDLTQWBOO-UHFFFAOYSA-N
MW235.24 g/mol
LogP-0.57
Rot. Bonds2

About 3-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]pyrimidin-4-one

3-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]pyrimidin-4-one (PubChem CID 63769546) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 3-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]pyrimidin-4-one
PubChem CID63769546
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name3-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]pyrimidin-4-one
SMILESO=C1CCN(C(=O)Cn2cnccc2=O)CC1
InChIInChI=1S/C11H13N3O3/c15-9-2-5-13(6-3-9)11(17)7-14-8-12-4-1-10(14)16/h1,4,8H,2-3,5-7H2
InChIKeyCKGGMSDLTQWBOO-UHFFFAOYSA-N
XLogP-0.57
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 5-0.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]pyrimidin-4-one?
The IUPAC name of 3-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]pyrimidin-4-one (CID 63769546) is 3-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]pyrimidin-4-one.
What is the SMILES notation for 3-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]pyrimidin-4-one?
The canonical SMILES for 3-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]pyrimidin-4-one is O=C1CCN(C(=O)Cn2cnccc2=O)CC1.
What is the InChIKey of 3-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]pyrimidin-4-one?
The InChIKey is CKGGMSDLTQWBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c15-9-2-5-13(6-3-9)11(17)7-14-8-12-4-1-10(14)16/h1,4,8H,2-3,5-7H2.
What are the key properties of 3-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]pyrimidin-4-one?
3-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]pyrimidin-4-one has a molecular weight of 235.24 g/mol, XLogP of -0.57, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]pyrimidin-4-one is sourced from PubChem (CID 63769546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).