[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-(5-methyl-1H-1,2,4-triazol-3-yl)methanone

C10H15FN4O2 — CID 129260946

IUPAC[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-(5-methyl-1H-1,2,4-triazol-3-yl)methanone
SMILESCO[C@H]1CCN(C(=O)c2n[nH]c(C)n2)C[C@H]1F
InChIInChI=1S/C10H15FN4O2/c1-6-12-9(14-13-6)10(16)15-4-3-8(17-2)7(11)5-15/h7-8H,3-5H2,1-2H3,(H,12,13,14)/t7-,8+/m1/s1
InChIKeyQDLHSHRBNXHLHB-SFYZADRCSA-N
MW242.25 g/mol
LogP0.31
Rot. Bonds2

About [(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-(5-methyl-1H-1,2,4-triazol-3-yl)methanone

[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-(5-methyl-1H-1,2,4-triazol-3-yl)methanone (PubChem CID 129260946) has the molecular formula C10H15FN4O2 and a molecular weight of 242.25 g/mol. Its IUPAC name is [(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-(5-methyl-1H-1,2,4-triazol-3-yl)methanone.

Molecular Properties

Compound Name[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-(5-methyl-1H-1,2,4-triazol-3-yl)methanone
PubChem CID129260946
Molecular FormulaC10H15FN4O2
Molecular Weight242.25 g/mol
Exact Mass242.12
IUPAC Name[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-(5-methyl-1H-1,2,4-triazol-3-yl)methanone
SMILESCO[C@H]1CCN(C(=O)c2n[nH]c(C)n2)C[C@H]1F
InChIInChI=1S/C10H15FN4O2/c1-6-12-9(14-13-6)10(16)15-4-3-8(17-2)7(11)5-15/h7-8H,3-5H2,1-2H3,(H,12,13,14)/t7-,8+/m1/s1
InChIKeyQDLHSHRBNXHLHB-SFYZADRCSA-N
XLogP0.31
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 50.31
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-methoxypiperidin-1-yl]-(5-methyl-1H-1,2,4-triazol-3-yl)methanone?
The IUPAC name of [(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-(5-methyl-1H-1,2,4-triazol-3-yl)methanone (CID 129260946) is [(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-(5-methyl-1H-1,2,4-triazol-3-yl)methanone.
What is the SMILES notation for [(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-(5-methyl-1H-1,2,4-triazol-3-yl)methanone?
The canonical SMILES for [(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-(5-methyl-1H-1,2,4-triazol-3-yl)methanone is CO[C@H]1CCN(C(=O)c2n[nH]c(C)n2)C[C@H]1F.
What is the InChIKey of [(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-(5-methyl-1H-1,2,4-triazol-3-yl)methanone?
The InChIKey is QDLHSHRBNXHLHB-SFYZADRCSA-N. The full InChI is InChI=1S/C10H15FN4O2/c1-6-12-9(14-13-6)10(16)15-4-3-8(17-2)7(11)5-15/h7-8H,3-5H2,1-2H3,(H,12,13,14)/t7-,8+/m1/s1.
What are the key properties of [(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-(5-methyl-1H-1,2,4-triazol-3-yl)methanone?
[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-(5-methyl-1H-1,2,4-triazol-3-yl)methanone has a molecular weight of 242.25 g/mol, XLogP of 0.31, 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]-(5-methyl-1H-1,2,4-triazol-3-yl)methanone is sourced from PubChem (CID 129260946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).