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

C13H19N3O2 — CID 121064277

IUPAC6-ethyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one
SMILESCCc1cc(=O)n(CC(=O)N2CCCCC2)cn1
InChIInChI=1S/C13H19N3O2/c1-2-11-8-12(17)16(10-14-11)9-13(18)15-6-4-3-5-7-15/h8,10H,2-7,9H2,1H3
InChIKeyQSFVLWQWXDXSLC-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.82
Rot. Bonds3

About 6-ethyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one

6-ethyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one (PubChem CID 121064277) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 6-ethyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name6-ethyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one
PubChem CID121064277
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name6-ethyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one
SMILESCCc1cc(=O)n(CC(=O)N2CCCCC2)cn1
InChIInChI=1S/C13H19N3O2/c1-2-11-8-12(17)16(10-14-11)9-13(18)15-6-4-3-5-7-15/h8,10H,2-7,9H2,1H3
InChIKeyQSFVLWQWXDXSLC-UHFFFAOYSA-N
XLogP0.82
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one?
The IUPAC name of 6-ethyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one (CID 121064277) is 6-ethyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one.
What is the SMILES notation for 6-ethyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one?
The canonical SMILES for 6-ethyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one is CCc1cc(=O)n(CC(=O)N2CCCCC2)cn1.
What is the InChIKey of 6-ethyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one?
The InChIKey is QSFVLWQWXDXSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-2-11-8-12(17)16(10-14-11)9-13(18)15-6-4-3-5-7-15/h8,10H,2-7,9H2,1H3.
What are the key properties of 6-ethyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one?
6-ethyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one has a molecular weight of 249.31 g/mol, XLogP of 0.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one is sourced from PubChem (CID 121064277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).