1-(5-fluoro-6-methoxy-2-pyridinyl)piperidin-4-one

C11H13FN2O2 — CID 121455991

IUPAC1-(5-fluoro-6-methoxy-2-pyridinyl)piperidin-4-one
SMILESCOc1nc(N2CCC(=O)CC2)ccc1F
InChIInChI=1S/C11H13FN2O2/c1-16-11-9(12)2-3-10(13-11)14-6-4-8(15)5-7-14/h2-3H,4-7H2,1H3
InChIKeyRTIRTZAYWXECQS-UHFFFAOYSA-N
MW224.23 g/mol
LogP1.40
Rot. Bonds2

About 1-(5-fluoro-6-methoxy-2-pyridinyl)piperidin-4-one

1-(5-fluoro-6-methoxy-2-pyridinyl)piperidin-4-one (PubChem CID 121455991) has the molecular formula C11H13FN2O2 and a molecular weight of 224.23 g/mol. Its IUPAC name is 1-(5-fluoro-6-methoxy-2-pyridinyl)piperidin-4-one.

Molecular Properties

Compound Name1-(5-fluoro-6-methoxy-2-pyridinyl)piperidin-4-one
PubChem CID121455991
Molecular FormulaC11H13FN2O2
Molecular Weight224.23 g/mol
Exact Mass224.10
IUPAC Name1-(5-fluoro-6-methoxy-2-pyridinyl)piperidin-4-one
SMILESCOc1nc(N2CCC(=O)CC2)ccc1F
InChIInChI=1S/C11H13FN2O2/c1-16-11-9(12)2-3-10(13-11)14-6-4-8(15)5-7-14/h2-3H,4-7H2,1H3
InChIKeyRTIRTZAYWXECQS-UHFFFAOYSA-N
XLogP1.40
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-6-methoxy-2-pyridinyl)piperidin-4-one?
The IUPAC name of 1-(5-fluoro-6-methoxy-2-pyridinyl)piperidin-4-one (CID 121455991) is 1-(5-fluoro-6-methoxy-2-pyridinyl)piperidin-4-one.
What is the SMILES notation for 1-(5-fluoro-6-methoxy-2-pyridinyl)piperidin-4-one?
The canonical SMILES for 1-(5-fluoro-6-methoxy-2-pyridinyl)piperidin-4-one is COc1nc(N2CCC(=O)CC2)ccc1F.
What is the InChIKey of 1-(5-fluoro-6-methoxy-2-pyridinyl)piperidin-4-one?
The InChIKey is RTIRTZAYWXECQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O2/c1-16-11-9(12)2-3-10(13-11)14-6-4-8(15)5-7-14/h2-3H,4-7H2,1H3.
What are the key properties of 1-(5-fluoro-6-methoxy-2-pyridinyl)piperidin-4-one?
1-(5-fluoro-6-methoxy-2-pyridinyl)piperidin-4-one has a molecular weight of 224.23 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-6-methoxy-2-pyridinyl)piperidin-4-one is sourced from PubChem (CID 121455991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).