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

C14H22FN3O2 — CID 121261842

IUPAC(2,3-dimethylimidazol-4-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone
SMILESCc1ncc(C(=O)N2CC[C@H](OC(C)C)[C@H](F)C2)n1C
InChIInChI=1S/C14H22FN3O2/c1-9(2)20-13-5-6-18(8-11(13)15)14(19)12-7-16-10(3)17(12)4/h7,9,11,13H,5-6,8H2,1-4H3/t11-,13+/m1/s1
InChIKeyFUATWDJIAOYNOL-YPMHNXCESA-N
MW283.35 g/mol
LogP1.71
Rot. Bonds3

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

(2,3-dimethylimidazol-4-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone (PubChem CID 121261842) has the molecular formula C14H22FN3O2 and a molecular weight of 283.35 g/mol. Its IUPAC name is (2,3-dimethylimidazol-4-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,3-dimethylimidazol-4-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone
PubChem CID121261842
Molecular FormulaC14H22FN3O2
Molecular Weight283.35 g/mol
Exact Mass283.17
IUPAC Name(2,3-dimethylimidazol-4-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone
SMILESCc1ncc(C(=O)N2CC[C@H](OC(C)C)[C@H](F)C2)n1C
InChIInChI=1S/C14H22FN3O2/c1-9(2)20-13-5-6-18(8-11(13)15)14(19)12-7-16-10(3)17(12)4/h7,9,11,13H,5-6,8H2,1-4H3/t11-,13+/m1/s1
InChIKeyFUATWDJIAOYNOL-YPMHNXCESA-N
XLogP1.71
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylimidazol-4-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone?
The IUPAC name of (2,3-dimethylimidazol-4-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone (CID 121261842) is (2,3-dimethylimidazol-4-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone.
What is the SMILES notation for (2,3-dimethylimidazol-4-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone?
The canonical SMILES for (2,3-dimethylimidazol-4-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone is Cc1ncc(C(=O)N2CC[C@H](OC(C)C)[C@H](F)C2)n1C.
What is the InChIKey of (2,3-dimethylimidazol-4-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone?
The InChIKey is FUATWDJIAOYNOL-YPMHNXCESA-N. The full InChI is InChI=1S/C14H22FN3O2/c1-9(2)20-13-5-6-18(8-11(13)15)14(19)12-7-16-10(3)17(12)4/h7,9,11,13H,5-6,8H2,1-4H3/t11-,13+/m1/s1.
What are the key properties of (2,3-dimethylimidazol-4-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone?
(2,3-dimethylimidazol-4-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone has a molecular weight of 283.35 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylimidazol-4-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone is sourced from PubChem (CID 121261842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).