1-(6-methoxy-3-pyridinyl)piperidin-4-one

C11H14N2O2 — CID 22000279

IUPAC1-(6-methoxy-3-pyridinyl)piperidin-4-one
SMILESCOc1ccc(N2CCC(=O)CC2)cn1
InChIInChI=1S/C11H14N2O2/c1-15-11-3-2-9(8-12-11)13-6-4-10(14)5-7-13/h2-3,8H,4-7H2,1H3
InChIKeyGYBCJJNQLTUUOC-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.26
Rot. Bonds2

About 1-(6-methoxy-3-pyridinyl)piperidin-4-one

1-(6-methoxy-3-pyridinyl)piperidin-4-one (PubChem CID 22000279) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 1-(6-methoxy-3-pyridinyl)piperidin-4-one.

Molecular Properties

Compound Name1-(6-methoxy-3-pyridinyl)piperidin-4-one
PubChem CID22000279
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name1-(6-methoxy-3-pyridinyl)piperidin-4-one
SMILESCOc1ccc(N2CCC(=O)CC2)cn1
InChIInChI=1S/C11H14N2O2/c1-15-11-3-2-9(8-12-11)13-6-4-10(14)5-7-13/h2-3,8H,4-7H2,1H3
InChIKeyGYBCJJNQLTUUOC-UHFFFAOYSA-N
XLogP1.26
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-3-pyridinyl)piperidin-4-one?
The IUPAC name of 1-(6-methoxy-3-pyridinyl)piperidin-4-one (CID 22000279) is 1-(6-methoxy-3-pyridinyl)piperidin-4-one.
What is the SMILES notation for 1-(6-methoxy-3-pyridinyl)piperidin-4-one?
The canonical SMILES for 1-(6-methoxy-3-pyridinyl)piperidin-4-one is COc1ccc(N2CCC(=O)CC2)cn1.
What is the InChIKey of 1-(6-methoxy-3-pyridinyl)piperidin-4-one?
The InChIKey is GYBCJJNQLTUUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-15-11-3-2-9(8-12-11)13-6-4-10(14)5-7-13/h2-3,8H,4-7H2,1H3.
What are the key properties of 1-(6-methoxy-3-pyridinyl)piperidin-4-one?
1-(6-methoxy-3-pyridinyl)piperidin-4-one has a molecular weight of 206.25 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-3-pyridinyl)piperidin-4-one is sourced from PubChem (CID 22000279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).