4-fluoro-N-(4-piperidin-1-ylphenyl)benzamide

C18H19FN2O — CID 652827

IUPAC4-fluoro-N-(4-piperidin-1-ylphenyl)benzamide
SMILESO=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(F)cc1
InChIInChI=1S/C18H19FN2O/c19-15-6-4-14(5-7-15)18(22)20-16-8-10-17(11-9-16)21-12-2-1-3-13-21/h4-11H,1-3,12-13H2,(H,20,22)
InChIKeyLRSXGTIRCZSFBF-UHFFFAOYSA-N
MW298.36 g/mol
LogP4.07
Rot. Bonds3

About 4-fluoro-N-(4-piperidin-1-ylphenyl)benzamide

4-fluoro-N-(4-piperidin-1-ylphenyl)benzamide (PubChem CID 652827) has the molecular formula C18H19FN2O and a molecular weight of 298.36 g/mol. Its IUPAC name is 4-fluoro-N-(4-piperidin-1-ylphenyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(4-piperidin-1-ylphenyl)benzamide
PubChem CID652827
Molecular FormulaC18H19FN2O
Molecular Weight298.36 g/mol
Exact Mass298.15
IUPAC Name4-fluoro-N-(4-piperidin-1-ylphenyl)benzamide
SMILESO=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(F)cc1
InChIInChI=1S/C18H19FN2O/c19-15-6-4-14(5-7-15)18(22)20-16-8-10-17(11-9-16)21-12-2-1-3-13-21/h4-11H,1-3,12-13H2,(H,20,22)
InChIKeyLRSXGTIRCZSFBF-UHFFFAOYSA-N
XLogP4.07
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(4-piperidin-1-ylphenyl)benzamide?
The IUPAC name of 4-fluoro-N-(4-piperidin-1-ylphenyl)benzamide (CID 652827) is 4-fluoro-N-(4-piperidin-1-ylphenyl)benzamide.
What is the SMILES notation for 4-fluoro-N-(4-piperidin-1-ylphenyl)benzamide?
The canonical SMILES for 4-fluoro-N-(4-piperidin-1-ylphenyl)benzamide is O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(4-piperidin-1-ylphenyl)benzamide?
The InChIKey is LRSXGTIRCZSFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O/c19-15-6-4-14(5-7-15)18(22)20-16-8-10-17(11-9-16)21-12-2-1-3-13-21/h4-11H,1-3,12-13H2,(H,20,22).
What are the key properties of 4-fluoro-N-(4-piperidin-1-ylphenyl)benzamide?
4-fluoro-N-(4-piperidin-1-ylphenyl)benzamide has a molecular weight of 298.36 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(4-piperidin-1-ylphenyl)benzamide is sourced from PubChem (CID 652827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).