[(3R,4S)-4-ethoxy-3-fluoropiperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone

C10H15FN4O2 — CID 129260882

IUPAC[(3R,4S)-4-ethoxy-3-fluoropiperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone
SMILESCCO[C@H]1CCN(C(=O)c2ncn[nH]2)C[C@H]1F
InChIInChI=1S/C10H15FN4O2/c1-2-17-8-3-4-15(5-7(8)11)10(16)9-12-6-13-14-9/h6-8H,2-5H2,1H3,(H,12,13,14)/t7-,8+/m1/s1
InChIKeyFFPMHSZNUOHYQB-SFYZADRCSA-N
MW242.25 g/mol
LogP0.39
Rot. Bonds3

About [(3R,4S)-4-ethoxy-3-fluoropiperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone

[(3R,4S)-4-ethoxy-3-fluoropiperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone (PubChem CID 129260882) has the molecular formula C10H15FN4O2 and a molecular weight of 242.25 g/mol. Its IUPAC name is [(3R,4S)-4-ethoxy-3-fluoropiperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone.

Molecular Properties

Compound Name[(3R,4S)-4-ethoxy-3-fluoropiperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone
PubChem CID129260882
Molecular FormulaC10H15FN4O2
Molecular Weight242.25 g/mol
Exact Mass242.12
IUPAC Name[(3R,4S)-4-ethoxy-3-fluoropiperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone
SMILESCCO[C@H]1CCN(C(=O)c2ncn[nH]2)C[C@H]1F
InChIInChI=1S/C10H15FN4O2/c1-2-17-8-3-4-15(5-7(8)11)10(16)9-12-6-13-14-9/h6-8H,2-5H2,1H3,(H,12,13,14)/t7-,8+/m1/s1
InChIKeyFFPMHSZNUOHYQB-SFYZADRCSA-N
XLogP0.39
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-4-ethoxy-3-fluoropiperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone?
The IUPAC name of [(3R,4S)-4-ethoxy-3-fluoropiperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone (CID 129260882) is [(3R,4S)-4-ethoxy-3-fluoropiperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone.
What is the SMILES notation for [(3R,4S)-4-ethoxy-3-fluoropiperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone?
The canonical SMILES for [(3R,4S)-4-ethoxy-3-fluoropiperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone is CCO[C@H]1CCN(C(=O)c2ncn[nH]2)C[C@H]1F.
What is the InChIKey of [(3R,4S)-4-ethoxy-3-fluoropiperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone?
The InChIKey is FFPMHSZNUOHYQB-SFYZADRCSA-N. The full InChI is InChI=1S/C10H15FN4O2/c1-2-17-8-3-4-15(5-7(8)11)10(16)9-12-6-13-14-9/h6-8H,2-5H2,1H3,(H,12,13,14)/t7-,8+/m1/s1.
What are the key properties of [(3R,4S)-4-ethoxy-3-fluoropiperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone?
[(3R,4S)-4-ethoxy-3-fluoropiperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone has a molecular weight of 242.25 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-4-ethoxy-3-fluoropiperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone is sourced from PubChem (CID 129260882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).