2-[4-fluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide

C13H18FN3O2 — CID 175468537

IUPAC2-[4-fluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide
SMILESCC(C(N)=O)N1CCC(F)C(c2ccc(=O)[nH]c2)C1
InChIInChI=1S/C13H18FN3O2/c1-8(13(15)19)17-5-4-11(14)10(7-17)9-2-3-12(18)16-6-9/h2-3,6,8,10-11H,4-5,7H2,1H3,(H2,15,19)(H,16,18)
InChIKeyRYSQBJIHDMIFRG-UHFFFAOYSA-N
MW267.30 g/mol
LogP0.38
Rot. Bonds3

About 2-[4-fluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide

2-[4-fluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide (PubChem CID 175468537) has the molecular formula C13H18FN3O2 and a molecular weight of 267.30 g/mol. Its IUPAC name is 2-[4-fluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide.

Molecular Properties

Compound Name2-[4-fluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide
PubChem CID175468537
Molecular FormulaC13H18FN3O2
Molecular Weight267.30 g/mol
Exact Mass267.14
IUPAC Name2-[4-fluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide
SMILESCC(C(N)=O)N1CCC(F)C(c2ccc(=O)[nH]c2)C1
InChIInChI=1S/C13H18FN3O2/c1-8(13(15)19)17-5-4-11(14)10(7-17)9-2-3-12(18)16-6-9/h2-3,6,8,10-11H,4-5,7H2,1H3,(H2,15,19)(H,16,18)
InChIKeyRYSQBJIHDMIFRG-UHFFFAOYSA-N
XLogP0.38
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide?
The IUPAC name of 2-[4-fluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide (CID 175468537) is 2-[4-fluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide.
What is the SMILES notation for 2-[4-fluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide?
The canonical SMILES for 2-[4-fluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide is CC(C(N)=O)N1CCC(F)C(c2ccc(=O)[nH]c2)C1.
What is the InChIKey of 2-[4-fluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide?
The InChIKey is RYSQBJIHDMIFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O2/c1-8(13(15)19)17-5-4-11(14)10(7-17)9-2-3-12(18)16-6-9/h2-3,6,8,10-11H,4-5,7H2,1H3,(H2,15,19)(H,16,18).
What are the key properties of 2-[4-fluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide?
2-[4-fluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide has a molecular weight of 267.30 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide is sourced from PubChem (CID 175468537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).