[2-(4-fluorophenyl)piperidin-1-yl]-[1-[(E)-3-phenylprop-2-enyl]triazol-4-yl]methanone

C23H23FN4O — CID 45185317

IUPAC[2-(4-fluorophenyl)piperidin-1-yl]-[1-[(E)-3-phenylprop-2-enyl]triazol-4-yl]methanone
SMILESO=C(c1cn(C/C=C/c2ccccc2)nn1)N1CCCCC1c1ccc(F)cc1
InChIInChI=1S/C23H23FN4O/c24-20-13-11-19(12-14-20)22-10-4-5-16-28(22)23(29)21-17-27(26-25-21)15-6-9-18-7-2-1-3-8-18/h1-3,6-9,11-14,17,22H,4-5,10,15-16H2/b9-6+
InChIKeyZPGDHLKSDMSMFL-RMKNXTFCSA-N
MW390.46 g/mol
LogP4.50
Rot. Bonds5

About [2-(4-fluorophenyl)piperidin-1-yl]-[1-[(E)-3-phenylprop-2-enyl]triazol-4-yl]methanone

[2-(4-fluorophenyl)piperidin-1-yl]-[1-[(E)-3-phenylprop-2-enyl]triazol-4-yl]methanone (PubChem CID 45185317) has the molecular formula C23H23FN4O and a molecular weight of 390.46 g/mol. Its IUPAC name is [2-(4-fluorophenyl)piperidin-1-yl]-[1-[(E)-3-phenylprop-2-enyl]triazol-4-yl]methanone.

Molecular Properties

Compound Name[2-(4-fluorophenyl)piperidin-1-yl]-[1-[(E)-3-phenylprop-2-enyl]triazol-4-yl]methanone
PubChem CID45185317
Molecular FormulaC23H23FN4O
Molecular Weight390.46 g/mol
Exact Mass390.19
IUPAC Name[2-(4-fluorophenyl)piperidin-1-yl]-[1-[(E)-3-phenylprop-2-enyl]triazol-4-yl]methanone
SMILESO=C(c1cn(C/C=C/c2ccccc2)nn1)N1CCCCC1c1ccc(F)cc1
InChIInChI=1S/C23H23FN4O/c24-20-13-11-19(12-14-20)22-10-4-5-16-28(22)23(29)21-17-27(26-25-21)15-6-9-18-7-2-1-3-8-18/h1-3,6-9,11-14,17,22H,4-5,10,15-16H2/b9-6+
InChIKeyZPGDHLKSDMSMFL-RMKNXTFCSA-N
XLogP4.50
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)piperidin-1-yl]-[1-[(E)-3-phenylprop-2-enyl]triazol-4-yl]methanone?
The IUPAC name of [2-(4-fluorophenyl)piperidin-1-yl]-[1-[(E)-3-phenylprop-2-enyl]triazol-4-yl]methanone (CID 45185317) is [2-(4-fluorophenyl)piperidin-1-yl]-[1-[(E)-3-phenylprop-2-enyl]triazol-4-yl]methanone.
What is the SMILES notation for [2-(4-fluorophenyl)piperidin-1-yl]-[1-[(E)-3-phenylprop-2-enyl]triazol-4-yl]methanone?
The canonical SMILES for [2-(4-fluorophenyl)piperidin-1-yl]-[1-[(E)-3-phenylprop-2-enyl]triazol-4-yl]methanone is O=C(c1cn(C/C=C/c2ccccc2)nn1)N1CCCCC1c1ccc(F)cc1.
What is the InChIKey of [2-(4-fluorophenyl)piperidin-1-yl]-[1-[(E)-3-phenylprop-2-enyl]triazol-4-yl]methanone?
The InChIKey is ZPGDHLKSDMSMFL-RMKNXTFCSA-N. The full InChI is InChI=1S/C23H23FN4O/c24-20-13-11-19(12-14-20)22-10-4-5-16-28(22)23(29)21-17-27(26-25-21)15-6-9-18-7-2-1-3-8-18/h1-3,6-9,11-14,17,22H,4-5,10,15-16H2/b9-6+.
What are the key properties of [2-(4-fluorophenyl)piperidin-1-yl]-[1-[(E)-3-phenylprop-2-enyl]triazol-4-yl]methanone?
[2-(4-fluorophenyl)piperidin-1-yl]-[1-[(E)-3-phenylprop-2-enyl]triazol-4-yl]methanone has a molecular weight of 390.46 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)piperidin-1-yl]-[1-[(E)-3-phenylprop-2-enyl]triazol-4-yl]methanone is sourced from PubChem (CID 45185317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).