1-[1-(2-fluoroethyl)piperidin-4-yl]-3-(methylamino)pyridin-2-one

C13H20FN3O — CID 137449100

IUPAC1-[1-(2-fluoroethyl)piperidin-4-yl]-3-(methylamino)pyridin-2-one
SMILESCNc1cccn(C2CCN(CCF)CC2)c1=O
InChIInChI=1S/C13H20FN3O/c1-15-12-3-2-7-17(13(12)18)11-4-8-16(9-5-11)10-6-14/h2-3,7,11,15H,4-6,8-10H2,1H3
InChIKeyIWWASJNFUXTUQA-UHFFFAOYSA-N
MW253.32 g/mol
LogP1.50
Rot. Bonds4

About 1-[1-(2-fluoroethyl)piperidin-4-yl]-3-(methylamino)pyridin-2-one

1-[1-(2-fluoroethyl)piperidin-4-yl]-3-(methylamino)pyridin-2-one (PubChem CID 137449100) has the molecular formula C13H20FN3O and a molecular weight of 253.32 g/mol. Its IUPAC name is 1-[1-(2-fluoroethyl)piperidin-4-yl]-3-(methylamino)pyridin-2-one.

Molecular Properties

Compound Name1-[1-(2-fluoroethyl)piperidin-4-yl]-3-(methylamino)pyridin-2-one
PubChem CID137449100
Molecular FormulaC13H20FN3O
Molecular Weight253.32 g/mol
Exact Mass253.16
IUPAC Name1-[1-(2-fluoroethyl)piperidin-4-yl]-3-(methylamino)pyridin-2-one
SMILESCNc1cccn(C2CCN(CCF)CC2)c1=O
InChIInChI=1S/C13H20FN3O/c1-15-12-3-2-7-17(13(12)18)11-4-8-16(9-5-11)10-6-14/h2-3,7,11,15H,4-6,8-10H2,1H3
InChIKeyIWWASJNFUXTUQA-UHFFFAOYSA-N
XLogP1.50
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluoroethyl)piperidin-4-yl]-3-(methylamino)pyridin-2-one?
The IUPAC name of 1-[1-(2-fluoroethyl)piperidin-4-yl]-3-(methylamino)pyridin-2-one (CID 137449100) is 1-[1-(2-fluoroethyl)piperidin-4-yl]-3-(methylamino)pyridin-2-one.
What is the SMILES notation for 1-[1-(2-fluoroethyl)piperidin-4-yl]-3-(methylamino)pyridin-2-one?
The canonical SMILES for 1-[1-(2-fluoroethyl)piperidin-4-yl]-3-(methylamino)pyridin-2-one is CNc1cccn(C2CCN(CCF)CC2)c1=O.
What is the InChIKey of 1-[1-(2-fluoroethyl)piperidin-4-yl]-3-(methylamino)pyridin-2-one?
The InChIKey is IWWASJNFUXTUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O/c1-15-12-3-2-7-17(13(12)18)11-4-8-16(9-5-11)10-6-14/h2-3,7,11,15H,4-6,8-10H2,1H3.
What are the key properties of 1-[1-(2-fluoroethyl)piperidin-4-yl]-3-(methylamino)pyridin-2-one?
1-[1-(2-fluoroethyl)piperidin-4-yl]-3-(methylamino)pyridin-2-one has a molecular weight of 253.32 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluoroethyl)piperidin-4-yl]-3-(methylamino)pyridin-2-one is sourced from PubChem (CID 137449100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).