1-ethyl-5-piperidin-4-ylpyridin-2-one

C12H18N2O — CID 59627433

IUPAC1-ethyl-5-piperidin-4-ylpyridin-2-one
SMILESCCn1cc(C2CCNCC2)ccc1=O
InChIInChI=1S/C12H18N2O/c1-2-14-9-11(3-4-12(14)15)10-5-7-13-8-6-10/h3-4,9-10,13H,2,5-8H2,1H3
InChIKeyYXCTWQPEMAFFAV-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.34
Rot. Bonds2

About 1-ethyl-5-piperidin-4-ylpyridin-2-one

1-ethyl-5-piperidin-4-ylpyridin-2-one (PubChem CID 59627433) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-ethyl-5-piperidin-4-ylpyridin-2-one.

Molecular Properties

Compound Name1-ethyl-5-piperidin-4-ylpyridin-2-one
PubChem CID59627433
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name1-ethyl-5-piperidin-4-ylpyridin-2-one
SMILESCCn1cc(C2CCNCC2)ccc1=O
InChIInChI=1S/C12H18N2O/c1-2-14-9-11(3-4-12(14)15)10-5-7-13-8-6-10/h3-4,9-10,13H,2,5-8H2,1H3
InChIKeyYXCTWQPEMAFFAV-UHFFFAOYSA-N
XLogP1.34
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-piperidin-4-ylpyridin-2-one?
The IUPAC name of 1-ethyl-5-piperidin-4-ylpyridin-2-one (CID 59627433) is 1-ethyl-5-piperidin-4-ylpyridin-2-one.
What is the SMILES notation for 1-ethyl-5-piperidin-4-ylpyridin-2-one?
The canonical SMILES for 1-ethyl-5-piperidin-4-ylpyridin-2-one is CCn1cc(C2CCNCC2)ccc1=O.
What is the InChIKey of 1-ethyl-5-piperidin-4-ylpyridin-2-one?
The InChIKey is YXCTWQPEMAFFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-2-14-9-11(3-4-12(14)15)10-5-7-13-8-6-10/h3-4,9-10,13H,2,5-8H2,1H3.
What are the key properties of 1-ethyl-5-piperidin-4-ylpyridin-2-one?
1-ethyl-5-piperidin-4-ylpyridin-2-one has a molecular weight of 206.29 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-piperidin-4-ylpyridin-2-one is sourced from PubChem (CID 59627433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).