[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-(3-methylimidazolidin-4-yl)methanone

C11H20FN3O2 — CID 121265296

IUPAC[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-(3-methylimidazolidin-4-yl)methanone
SMILESCO[C@H]1CCN(C(=O)C2CNCN2C)C[C@H]1F
InChIInChI=1S/C11H20FN3O2/c1-14-7-13-5-9(14)11(16)15-4-3-10(17-2)8(12)6-15/h8-10,13H,3-7H2,1-2H3/t8-,9?,10+/m1/s1
InChIKeyQWCXHDFSNUFACS-FIBVVXLUSA-N
MW245.30 g/mol
LogP-0.57
Rot. Bonds2

About [(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-(3-methylimidazolidin-4-yl)methanone

[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-(3-methylimidazolidin-4-yl)methanone (PubChem CID 121265296) has the molecular formula C11H20FN3O2 and a molecular weight of 245.30 g/mol. Its IUPAC name is [(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-(3-methylimidazolidin-4-yl)methanone.

Molecular Properties

Compound Name[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-(3-methylimidazolidin-4-yl)methanone
PubChem CID121265296
Molecular FormulaC11H20FN3O2
Molecular Weight245.30 g/mol
Exact Mass245.15
IUPAC Name[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-(3-methylimidazolidin-4-yl)methanone
SMILESCO[C@H]1CCN(C(=O)C2CNCN2C)C[C@H]1F
InChIInChI=1S/C11H20FN3O2/c1-14-7-13-5-9(14)11(16)15-4-3-10(17-2)8(12)6-15/h8-10,13H,3-7H2,1-2H3/t8-,9?,10+/m1/s1
InChIKeyQWCXHDFSNUFACS-FIBVVXLUSA-N
XLogP-0.57
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-aminopiperidin-4-yl)-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]methanone
CID 139353797
2,2,2-trifluoro-1-[(3S,4R)-3-fluoro-4-methoxypiperidin-1-yl]ethanone
CID 134827899
(5R)-5-[(3R)-3-fluoro-4-methoxypiperidine-1-carbonyl]pyrrolidin-2-one
CID 121265380
[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-pyrazolidin-3-ylmethanone;molecular hydrogen;propane
CID 145052579
(4S)-4-[(3R,4S)-3-fluoro-4-methoxypiperidine-1-carbonyl]-1,3-oxazolidin-2-one
CID 121265392
(2R)-1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-3-hydroxy-2-methylpropan-1-one
CID 121265292
1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-2-pyrazolidin-3-ylethanone
CID 121265344
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
(6-aminopiperazin-2-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone
CID 140709129
tert-butyl (3R,4S)-3-fluoro-4-(trideuteriomethoxy)piperidine-1-carboxylate
CID 165390537

Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-(3-methylimidazolidin-4-yl)methanone?
The IUPAC name of [(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-(3-methylimidazolidin-4-yl)methanone (CID 121265296) is [(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-(3-methylimidazolidin-4-yl)methanone.
What is the SMILES notation for [(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-(3-methylimidazolidin-4-yl)methanone?
The canonical SMILES for [(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-(3-methylimidazolidin-4-yl)methanone is CO[C@H]1CCN(C(=O)C2CNCN2C)C[C@H]1F.
What is the InChIKey of [(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-(3-methylimidazolidin-4-yl)methanone?
The InChIKey is QWCXHDFSNUFACS-FIBVVXLUSA-N. The full InChI is InChI=1S/C11H20FN3O2/c1-14-7-13-5-9(14)11(16)15-4-3-10(17-2)8(12)6-15/h8-10,13H,3-7H2,1-2H3/t8-,9?,10+/m1/s1.
What are the key properties of [(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-(3-methylimidazolidin-4-yl)methanone?
[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-(3-methylimidazolidin-4-yl)methanone has a molecular weight of 245.30 g/mol, XLogP of -0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-(3-methylimidazolidin-4-yl)methanone is sourced from PubChem (CID 121265296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).