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

C20H19FN4O — CID 53192388

IUPAC(4-fluorophenyl)-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCC(c2nc(-c3ccccc3)n[nH]2)CC1
InChIInChI=1S/C20H19FN4O/c21-17-8-6-16(7-9-17)20(26)25-12-10-15(11-13-25)19-22-18(23-24-19)14-4-2-1-3-5-14/h1-9,15H,10-13H2,(H,22,23,24)
InChIKeyIBTVHPGITQTUER-UHFFFAOYSA-N
MW350.40 g/mol
LogP3.63
Rot. Bonds3

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

(4-fluorophenyl)-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone (PubChem CID 53192388) has the molecular formula C20H19FN4O and a molecular weight of 350.40 g/mol. Its IUPAC name is (4-fluorophenyl)-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
PubChem CID53192388
Molecular FormulaC20H19FN4O
Molecular Weight350.40 g/mol
Exact Mass350.15
IUPAC Name(4-fluorophenyl)-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCC(c2nc(-c3ccccc3)n[nH]2)CC1
InChIInChI=1S/C20H19FN4O/c21-17-8-6-16(7-9-17)20(26)25-12-10-15(11-13-25)19-22-18(23-24-19)14-4-2-1-3-5-14/h1-9,15H,10-13H2,(H,22,23,24)
InChIKeyIBTVHPGITQTUER-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 (4-fluorophenyl)-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone (CID 53192388) is (4-fluorophenyl)-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone is O=C(c1ccc(F)cc1)N1CCC(c2nc(-c3ccccc3)n[nH]2)CC1.
What is the InChIKey of (4-fluorophenyl)-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is IBTVHPGITQTUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O/c21-17-8-6-16(7-9-17)20(26)25-12-10-15(11-13-25)19-22-18(23-24-19)14-4-2-1-3-5-14/h1-9,15H,10-13H2,(H,22,23,24).
What are the key properties of (4-fluorophenyl)-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
(4-fluorophenyl)-[4-(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 (4-fluorophenyl)-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 53192388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).