1-[1-(2-fluoroethyl)piperidin-3-yl]-3-(propan-2-ylamino)pyridin-2-one

C15H24FN3O — CID 137457490

IUPAC1-[1-(2-fluoroethyl)piperidin-3-yl]-3-(propan-2-ylamino)pyridin-2-one
SMILESCC(C)Nc1cccn(C2CCCN(CCF)C2)c1=O
InChIInChI=1S/C15H24FN3O/c1-12(2)17-14-6-4-9-19(15(14)20)13-5-3-8-18(11-13)10-7-16/h4,6,9,12-13,17H,3,5,7-8,10-11H2,1-2H3
InChIKeyIUSSIGPSFMMRAN-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.28
Rot. Bonds5

About 1-[1-(2-fluoroethyl)piperidin-3-yl]-3-(propan-2-ylamino)pyridin-2-one

1-[1-(2-fluoroethyl)piperidin-3-yl]-3-(propan-2-ylamino)pyridin-2-one (PubChem CID 137457490) has the molecular formula C15H24FN3O and a molecular weight of 281.38 g/mol. Its IUPAC name is 1-[1-(2-fluoroethyl)piperidin-3-yl]-3-(propan-2-ylamino)pyridin-2-one.

Molecular Properties

Compound Name1-[1-(2-fluoroethyl)piperidin-3-yl]-3-(propan-2-ylamino)pyridin-2-one
PubChem CID137457490
Molecular FormulaC15H24FN3O
Molecular Weight281.38 g/mol
Exact Mass281.19
IUPAC Name1-[1-(2-fluoroethyl)piperidin-3-yl]-3-(propan-2-ylamino)pyridin-2-one
SMILESCC(C)Nc1cccn(C2CCCN(CCF)C2)c1=O
InChIInChI=1S/C15H24FN3O/c1-12(2)17-14-6-4-9-19(15(14)20)13-5-3-8-18(11-13)10-7-16/h4,6,9,12-13,17H,3,5,7-8,10-11H2,1-2H3
InChIKeyIUSSIGPSFMMRAN-UHFFFAOYSA-N
XLogP2.28
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.28
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-3-yl]-3-(propan-2-ylamino)pyridin-2-one?
The IUPAC name of 1-[1-(2-fluoroethyl)piperidin-3-yl]-3-(propan-2-ylamino)pyridin-2-one (CID 137457490) is 1-[1-(2-fluoroethyl)piperidin-3-yl]-3-(propan-2-ylamino)pyridin-2-one.
What is the SMILES notation for 1-[1-(2-fluoroethyl)piperidin-3-yl]-3-(propan-2-ylamino)pyridin-2-one?
The canonical SMILES for 1-[1-(2-fluoroethyl)piperidin-3-yl]-3-(propan-2-ylamino)pyridin-2-one is CC(C)Nc1cccn(C2CCCN(CCF)C2)c1=O.
What is the InChIKey of 1-[1-(2-fluoroethyl)piperidin-3-yl]-3-(propan-2-ylamino)pyridin-2-one?
The InChIKey is IUSSIGPSFMMRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3O/c1-12(2)17-14-6-4-9-19(15(14)20)13-5-3-8-18(11-13)10-7-16/h4,6,9,12-13,17H,3,5,7-8,10-11H2,1-2H3.
What are the key properties of 1-[1-(2-fluoroethyl)piperidin-3-yl]-3-(propan-2-ylamino)pyridin-2-one?
1-[1-(2-fluoroethyl)piperidin-3-yl]-3-(propan-2-ylamino)pyridin-2-one has a molecular weight of 281.38 g/mol, XLogP of 2.28, 5 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-3-yl]-3-(propan-2-ylamino)pyridin-2-one is sourced from PubChem (CID 137457490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).