(2-fluorophenyl)-[3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone

C20H19FN4O — CID 53192183

IUPAC(2-fluorophenyl)-[3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccccc1F)N1CCCC(c2nc(-c3ccccc3)n[nH]2)C1
InChIInChI=1S/C20H19FN4O/c21-17-11-5-4-10-16(17)20(26)25-12-6-9-15(13-25)19-22-18(23-24-19)14-7-2-1-3-8-14/h1-5,7-8,10-11,15H,6,9,12-13H2,(H,22,23,24)
InChIKeyPCCQODWREOJHDF-UHFFFAOYSA-N
MW350.40 g/mol
LogP3.63
Rot. Bonds3

About (2-fluorophenyl)-[3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone

(2-fluorophenyl)-[3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone (PubChem CID 53192183) has the molecular formula C20H19FN4O and a molecular weight of 350.40 g/mol. Its IUPAC name is (2-fluorophenyl)-[3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-[3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
PubChem CID53192183
Molecular FormulaC20H19FN4O
Molecular Weight350.40 g/mol
Exact Mass350.15
IUPAC Name(2-fluorophenyl)-[3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccccc1F)N1CCCC(c2nc(-c3ccccc3)n[nH]2)C1
InChIInChI=1S/C20H19FN4O/c21-17-11-5-4-10-16(17)20(26)25-12-6-9-15(13-25)19-22-18(23-24-19)14-7-2-1-3-8-14/h1-5,7-8,10-11,15H,6,9,12-13H2,(H,22,23,24)
InChIKeyPCCQODWREOJHDF-UHFFFAOYSA-N
XLogP3.63
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (2-fluorophenyl)-[3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone (CID 53192183) is (2-fluorophenyl)-[3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-fluorophenyl)-[3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2-fluorophenyl)-[3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone is O=C(c1ccccc1F)N1CCCC(c2nc(-c3ccccc3)n[nH]2)C1.
What is the InChIKey of (2-fluorophenyl)-[3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is PCCQODWREOJHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O/c21-17-11-5-4-10-16(17)20(26)25-12-6-9-15(13-25)19-22-18(23-24-19)14-7-2-1-3-8-14/h1-5,7-8,10-11,15H,6,9,12-13H2,(H,22,23,24).
What are the key properties of (2-fluorophenyl)-[3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
(2-fluorophenyl)-[3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 350.40 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 53192183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).