1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-2-pyrazolidin-3-ylethanone

C11H20FN3O2 — CID 121265344

IUPAC1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-2-pyrazolidin-3-ylethanone
SMILESCO[C@H]1CCN(C(=O)CC2CCNN2)C[C@H]1F
InChIInChI=1S/C11H20FN3O2/c1-17-10-3-5-15(7-9(10)12)11(16)6-8-2-4-13-14-8/h8-10,13-14H,2-7H2,1H3/t8?,9-,10+/m1/s1
InChIKeyHRISATWYIKXKIQ-XVBQNVSMSA-N
MW245.30 g/mol
LogP-0.17
Rot. Bonds3

About 1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-2-pyrazolidin-3-ylethanone

1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-2-pyrazolidin-3-ylethanone (PubChem CID 121265344) has the molecular formula C11H20FN3O2 and a molecular weight of 245.30 g/mol. Its IUPAC name is 1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-2-pyrazolidin-3-ylethanone.

Molecular Properties

Compound Name1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-2-pyrazolidin-3-ylethanone
PubChem CID121265344
Molecular FormulaC11H20FN3O2
Molecular Weight245.30 g/mol
Exact Mass245.15
IUPAC Name1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-2-pyrazolidin-3-ylethanone
SMILESCO[C@H]1CCN(C(=O)CC2CCNN2)C[C@H]1F
InChIInChI=1S/C11H20FN3O2/c1-17-10-3-5-15(7-9(10)12)11(16)6-8-2-4-13-14-8/h8-10,13-14H,2-7H2,1H3/t8?,9-,10+/m1/s1
InChIKeyHRISATWYIKXKIQ-XVBQNVSMSA-N
XLogP-0.17
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-pyrazolidin-3-ylmethanone;molecular hydrogen;propane
CID 145052579
2-(3-cyclopentylpyrazolidin-3-yl)-1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]ethanone
CID 139353540
2,2,2-trifluoro-1-[(3S,4R)-3-fluoro-4-methoxypiperidin-1-yl]ethanone
CID 134827899
(2R)-1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-3-hydroxy-2-methylpropan-1-one
CID 121265292
1-[(3S,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-2-hydroxyethanone
CID 121261768
(4S)-4-[(3R,4S)-3-fluoro-4-methoxypiperidine-1-carbonyl]-1,3-oxazolidin-2-one
CID 121265392
(5R)-5-[(3R)-3-fluoro-4-methoxypiperidine-1-carbonyl]pyrrolidin-2-one
CID 121265380
(3-aminopiperidin-4-yl)-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]methanone
CID 139353797
[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-(3-methylimidazolidin-4-yl)methanone
CID 121265296
2-amino-2-(diaminomethylamino)-1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]ethanone
CID 121265358
(4R)-3-fluoro-4-methoxypyrrolidine-1-carbonyl iodide
CID 89331799
1-[4-[2-(3-fluoro-4-methoxypiperidin-1-yl)ethyl]piperidin-1-yl]ethanone
CID 156707378

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-2-pyrazolidin-3-ylethanone?
The IUPAC name of 1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-2-pyrazolidin-3-ylethanone (CID 121265344) is 1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-2-pyrazolidin-3-ylethanone.
What is the SMILES notation for 1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-2-pyrazolidin-3-ylethanone?
The canonical SMILES for 1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-2-pyrazolidin-3-ylethanone is CO[C@H]1CCN(C(=O)CC2CCNN2)C[C@H]1F.
What is the InChIKey of 1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-2-pyrazolidin-3-ylethanone?
The InChIKey is HRISATWYIKXKIQ-XVBQNVSMSA-N. The full InChI is InChI=1S/C11H20FN3O2/c1-17-10-3-5-15(7-9(10)12)11(16)6-8-2-4-13-14-8/h8-10,13-14H,2-7H2,1H3/t8?,9-,10+/m1/s1.
What are the key properties of 1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-2-pyrazolidin-3-ylethanone?
1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-2-pyrazolidin-3-ylethanone has a molecular weight of 245.30 g/mol, XLogP of -0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-2-pyrazolidin-3-ylethanone is sourced from PubChem (CID 121265344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).