(3,5-dimethylpyrazolidin-4-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone

C14H26FN3O2 — CID 138525351

IUPAC(3,5-dimethylpyrazolidin-4-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone
SMILESCC(C)O[C@H]1CCN(C(=O)C2C(C)NNC2C)C[C@H]1F
InChIInChI=1S/C14H26FN3O2/c1-8(2)20-12-5-6-18(7-11(12)15)14(19)13-9(3)16-17-10(13)4/h8-13,16-17H,5-7H2,1-4H3/t9?,10?,11-,12+,13?/m1/s1
InChIKeyQBEBMRCEAJRLQH-DNHRMUNASA-N
MW287.38 g/mol
LogP0.85
Rot. Bonds3

About (3,5-dimethylpyrazolidin-4-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone

(3,5-dimethylpyrazolidin-4-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone (PubChem CID 138525351) has the molecular formula C14H26FN3O2 and a molecular weight of 287.38 g/mol. Its IUPAC name is (3,5-dimethylpyrazolidin-4-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethylpyrazolidin-4-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone
PubChem CID138525351
Molecular FormulaC14H26FN3O2
Molecular Weight287.38 g/mol
Exact Mass287.20
IUPAC Name(3,5-dimethylpyrazolidin-4-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone
SMILESCC(C)O[C@H]1CCN(C(=O)C2C(C)NNC2C)C[C@H]1F
InChIInChI=1S/C14H26FN3O2/c1-8(2)20-12-5-6-18(7-11(12)15)14(19)13-9(3)16-17-10(13)4/h8-13,16-17H,5-7H2,1-4H3/t9?,10?,11-,12+,13?/m1/s1
InChIKeyQBEBMRCEAJRLQH-DNHRMUNASA-N
XLogP0.85
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3,5-dimethylpyrazolidin-4-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone with MolForge

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Related Compounds

1-[(3S,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-2-hydroxyethanone
CID 121261768
(6-aminopiperazin-2-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone
CID 140709129
(4-amino-5-cyclooctylpyrazolidin-3-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone
CID 138525335
(1-cycloheptylpyrazolidin-4-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone
CID 135291751
(5-aminopyrazin-2-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone
CID 121261843
[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-pyrimidin-4-ylmethanone
CID 121261823
(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
(2R)-1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-3-hydroxy-2-methylpropan-1-one
CID 121265292
[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-(3-methylimidazolidin-4-yl)methanone
CID 121265296
3-oxabicyclo[3.1.0]hexan-6-yl-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 169182669
[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-pyrazolidin-3-ylmethanone;molecular hydrogen;propane
CID 145052579

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpyrazolidin-4-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone?
The IUPAC name of (3,5-dimethylpyrazolidin-4-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone (CID 138525351) is (3,5-dimethylpyrazolidin-4-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone.
What is the SMILES notation for (3,5-dimethylpyrazolidin-4-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone?
The canonical SMILES for (3,5-dimethylpyrazolidin-4-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone is CC(C)O[C@H]1CCN(C(=O)C2C(C)NNC2C)C[C@H]1F.
What is the InChIKey of (3,5-dimethylpyrazolidin-4-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone?
The InChIKey is QBEBMRCEAJRLQH-DNHRMUNASA-N. The full InChI is InChI=1S/C14H26FN3O2/c1-8(2)20-12-5-6-18(7-11(12)15)14(19)13-9(3)16-17-10(13)4/h8-13,16-17H,5-7H2,1-4H3/t9?,10?,11-,12+,13?/m1/s1.
What are the key properties of (3,5-dimethylpyrazolidin-4-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone?
(3,5-dimethylpyrazolidin-4-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone has a molecular weight of 287.38 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpyrazolidin-4-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone is sourced from PubChem (CID 138525351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).