(4-fluorophenyl)-[1-(pyridine-4-carbonyl)piperidin-4-yl]methanone

C18H17FN2O2 — CID 646710

IUPAC(4-fluorophenyl)-[1-(pyridine-4-carbonyl)piperidin-4-yl]methanone
SMILESO=C(c1ccc(F)cc1)C1CCN(C(=O)c2ccncc2)CC1
InChIInChI=1S/C18H17FN2O2/c19-16-3-1-13(2-4-16)17(22)14-7-11-21(12-8-14)18(23)15-5-9-20-10-6-15/h1-6,9-10,14H,7-8,11-12H2
InChIKeyWGVODZNVIQJUSX-UHFFFAOYSA-N
MW312.34 g/mol
LogP2.96
Rot. Bonds3

About (4-fluorophenyl)-[1-(pyridine-4-carbonyl)piperidin-4-yl]methanone

(4-fluorophenyl)-[1-(pyridine-4-carbonyl)piperidin-4-yl]methanone (PubChem CID 646710) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is (4-fluorophenyl)-[1-(pyridine-4-carbonyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[1-(pyridine-4-carbonyl)piperidin-4-yl]methanone
PubChem CID646710
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC Name(4-fluorophenyl)-[1-(pyridine-4-carbonyl)piperidin-4-yl]methanone
SMILESO=C(c1ccc(F)cc1)C1CCN(C(=O)c2ccncc2)CC1
InChIInChI=1S/C18H17FN2O2/c19-16-3-1-13(2-4-16)17(22)14-7-11-21(12-8-14)18(23)15-5-9-20-10-6-15/h1-6,9-10,14H,7-8,11-12H2
InChIKeyWGVODZNVIQJUSX-UHFFFAOYSA-N
XLogP2.96
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[1-(pyridine-4-carbonyl)piperidin-4-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[1-(pyridine-4-carbonyl)piperidin-4-yl]methanone (CID 646710) is (4-fluorophenyl)-[1-(pyridine-4-carbonyl)piperidin-4-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[1-(pyridine-4-carbonyl)piperidin-4-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[1-(pyridine-4-carbonyl)piperidin-4-yl]methanone is O=C(c1ccc(F)cc1)C1CCN(C(=O)c2ccncc2)CC1.
What is the InChIKey of (4-fluorophenyl)-[1-(pyridine-4-carbonyl)piperidin-4-yl]methanone?
The InChIKey is WGVODZNVIQJUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2/c19-16-3-1-13(2-4-16)17(22)14-7-11-21(12-8-14)18(23)15-5-9-20-10-6-15/h1-6,9-10,14H,7-8,11-12H2.
What are the key properties of (4-fluorophenyl)-[1-(pyridine-4-carbonyl)piperidin-4-yl]methanone?
(4-fluorophenyl)-[1-(pyridine-4-carbonyl)piperidin-4-yl]methanone has a molecular weight of 312.34 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[1-(pyridine-4-carbonyl)piperidin-4-yl]methanone is sourced from PubChem (CID 646710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).