3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one

C11H15N3O2 — CID 115679450

IUPAC3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one
SMILESO=C(Cn1cnccc1=O)N1CCCCC1
InChIInChI=1S/C11H15N3O2/c15-10-4-5-12-9-14(10)8-11(16)13-6-2-1-3-7-13/h4-5,9H,1-3,6-8H2
InChIKeyYEBQGUULORDRJA-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.26
Rot. Bonds2

About 3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one

3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one (PubChem CID 115679450) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one
PubChem CID115679450
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one
SMILESO=C(Cn1cnccc1=O)N1CCCCC1
InChIInChI=1S/C11H15N3O2/c15-10-4-5-12-9-14(10)8-11(16)13-6-2-1-3-7-13/h4-5,9H,1-3,6-8H2
InChIKeyYEBQGUULORDRJA-UHFFFAOYSA-N
XLogP0.26
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one?
The IUPAC name of 3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one (CID 115679450) is 3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one.
What is the SMILES notation for 3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one?
The canonical SMILES for 3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one is O=C(Cn1cnccc1=O)N1CCCCC1.
What is the InChIKey of 3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one?
The InChIKey is YEBQGUULORDRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c15-10-4-5-12-9-14(10)8-11(16)13-6-2-1-3-7-13/h4-5,9H,1-3,6-8H2.
What are the key properties of 3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one?
3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one has a molecular weight of 221.26 g/mol, XLogP of 0.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one is sourced from PubChem (CID 115679450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).