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

C12H15FN2O3 — CID 121247097

IUPAC4-[(3R,4S)-3-fluoro-4-methoxypiperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCO[C@H]1CCN(C(=O)c2cc[nH]c(=O)c2)C[C@H]1F
InChIInChI=1S/C12H15FN2O3/c1-18-10-3-5-15(7-9(10)13)12(17)8-2-4-14-11(16)6-8/h2,4,6,9-10H,3,5,7H2,1H3,(H,14,16)/t9-,10+/m1/s1
InChIKeyXKSWHSDRUCVPHU-ZJUUUORDSA-N
MW254.26 g/mol
LogP0.57
Rot. Bonds2

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

4-[(3R,4S)-3-fluoro-4-methoxypiperidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 121247097) has the molecular formula C12H15FN2O3 and a molecular weight of 254.26 g/mol. Its IUPAC name is 4-[(3R,4S)-3-fluoro-4-methoxypiperidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[(3R,4S)-3-fluoro-4-methoxypiperidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID121247097
Molecular FormulaC12H15FN2O3
Molecular Weight254.26 g/mol
Exact Mass254.11
IUPAC Name4-[(3R,4S)-3-fluoro-4-methoxypiperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCO[C@H]1CCN(C(=O)c2cc[nH]c(=O)c2)C[C@H]1F
InChIInChI=1S/C12H15FN2O3/c1-18-10-3-5-15(7-9(10)13)12(17)8-2-4-14-11(16)6-8/h2,4,6,9-10H,3,5,7H2,1H3,(H,14,16)/t9-,10+/m1/s1
InChIKeyXKSWHSDRUCVPHU-ZJUUUORDSA-N
XLogP0.57
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 50.57
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-methoxypiperidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 4-[(3R,4S)-3-fluoro-4-methoxypiperidine-1-carbonyl]-1H-pyridin-2-one (CID 121247097) is 4-[(3R,4S)-3-fluoro-4-methoxypiperidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[(3R,4S)-3-fluoro-4-methoxypiperidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 4-[(3R,4S)-3-fluoro-4-methoxypiperidine-1-carbonyl]-1H-pyridin-2-one is CO[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-methoxypiperidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is XKSWHSDRUCVPHU-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H15FN2O3/c1-18-10-3-5-15(7-9(10)13)12(17)8-2-4-14-11(16)6-8/h2,4,6,9-10H,3,5,7H2,1H3,(H,14,16)/t9-,10+/m1/s1.
What are the key properties of 4-[(3R,4S)-3-fluoro-4-methoxypiperidine-1-carbonyl]-1H-pyridin-2-one?
4-[(3R,4S)-3-fluoro-4-methoxypiperidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 254.26 g/mol, XLogP of 0.57, 2 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-methoxypiperidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 121247097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).