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

C11H17FN4O2 — CID 138571361

IUPAC[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-(2H-triazol-4-yl)methanone
SMILESCC(C)O[C@H]1CCN(C(=O)c2cn[nH]n2)C[C@H]1F
InChIInChI=1S/C11H17FN4O2/c1-7(2)18-10-3-4-16(6-8(10)12)11(17)9-5-13-15-14-9/h5,7-8,10H,3-4,6H2,1-2H3,(H,13,14,15)/t8-,10+/m1/s1
InChIKeyRMIDQMASWMJXKQ-SCZZXKLOSA-N
MW256.28 g/mol
LogP0.78
Rot. Bonds3

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

[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-(2H-triazol-4-yl)methanone (PubChem CID 138571361) has the molecular formula C11H17FN4O2 and a molecular weight of 256.28 g/mol. Its IUPAC name is [(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-(2H-triazol-4-yl)methanone.

Molecular Properties

Compound Name[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-(2H-triazol-4-yl)methanone
PubChem CID138571361
Molecular FormulaC11H17FN4O2
Molecular Weight256.28 g/mol
Exact Mass256.13
IUPAC Name[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-(2H-triazol-4-yl)methanone
SMILESCC(C)O[C@H]1CCN(C(=O)c2cn[nH]n2)C[C@H]1F
InChIInChI=1S/C11H17FN4O2/c1-7(2)18-10-3-4-16(6-8(10)12)11(17)9-5-13-15-14-9/h5,7-8,10H,3-4,6H2,1-2H3,(H,13,14,15)/t8-,10+/m1/s1
InChIKeyRMIDQMASWMJXKQ-SCZZXKLOSA-N
XLogP0.78
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-(2H-triazol-4-yl)methanone?
The IUPAC name of [(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-(2H-triazol-4-yl)methanone (CID 138571361) is [(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-(2H-triazol-4-yl)methanone.
What is the SMILES notation for [(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-(2H-triazol-4-yl)methanone?
The canonical SMILES for [(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-(2H-triazol-4-yl)methanone is CC(C)O[C@H]1CCN(C(=O)c2cn[nH]n2)C[C@H]1F.
What is the InChIKey of [(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-(2H-triazol-4-yl)methanone?
The InChIKey is RMIDQMASWMJXKQ-SCZZXKLOSA-N. The full InChI is InChI=1S/C11H17FN4O2/c1-7(2)18-10-3-4-16(6-8(10)12)11(17)9-5-13-15-14-9/h5,7-8,10H,3-4,6H2,1-2H3,(H,13,14,15)/t8-,10+/m1/s1.
What are the key properties of [(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-(2H-triazol-4-yl)methanone?
[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-(2H-triazol-4-yl)methanone has a molecular weight of 256.28 g/mol, XLogP of 0.78, 3 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-propan-2-yloxypiperidin-1-yl]-(2H-triazol-4-yl)methanone is sourced from PubChem (CID 138571361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).