4-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidine-1-carbonyl]-1H-pyridin-2-one

C14H19FN2O3 — CID 121261854

IUPAC4-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCC(C)O[C@H]1CCN(C(=O)c2cc[nH]c(=O)c2)C[C@H]1F
InChIInChI=1S/C14H19FN2O3/c1-9(2)20-12-4-6-17(8-11(12)15)14(19)10-3-5-16-13(18)7-10/h3,5,7,9,11-12H,4,6,8H2,1-2H3,(H,16,18)/t11-,12+/m1/s1
InChIKeyLYCGOACBFFMLAD-NEPJUHHUSA-N
MW282.31 g/mol
LogP1.35
Rot. Bonds3

About 4-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidine-1-carbonyl]-1H-pyridin-2-one

4-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 121261854) has the molecular formula C14H19FN2O3 and a molecular weight of 282.31 g/mol. Its IUPAC name is 4-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID121261854
Molecular FormulaC14H19FN2O3
Molecular Weight282.31 g/mol
Exact Mass282.14
IUPAC Name4-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCC(C)O[C@H]1CCN(C(=O)c2cc[nH]c(=O)c2)C[C@H]1F
InChIInChI=1S/C14H19FN2O3/c1-9(2)20-12-4-6-17(8-11(12)15)14(19)10-3-5-16-13(18)7-10/h3,5,7,9,11-12H,4,6,8H2,1-2H3,(H,16,18)/t11-,12+/m1/s1
InChIKeyLYCGOACBFFMLAD-NEPJUHHUSA-N
XLogP1.35
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 4-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidine-1-carbonyl]-1H-pyridin-2-one (CID 121261854) is 4-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 4-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidine-1-carbonyl]-1H-pyridin-2-one is CC(C)O[C@H]1CCN(C(=O)c2cc[nH]c(=O)c2)C[C@H]1F.
What is the InChIKey of 4-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is LYCGOACBFFMLAD-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H19FN2O3/c1-9(2)20-12-4-6-17(8-11(12)15)14(19)10-3-5-16-13(18)7-10/h3,5,7,9,11-12H,4,6,8H2,1-2H3,(H,16,18)/t11-,12+/m1/s1.
What are the key properties of 4-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidine-1-carbonyl]-1H-pyridin-2-one?
4-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 282.31 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 121261854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).