3-fluoro-N-(5-piperidin-1-ylisoquinolin-8-yl)benzamide

C21H20FN3O — CID 41332803

IUPAC3-fluoro-N-(5-piperidin-1-ylisoquinolin-8-yl)benzamide
SMILESO=C(Nc1ccc(N2CCCCC2)c2ccncc12)c1cccc(F)c1
InChIInChI=1S/C21H20FN3O/c22-16-6-4-5-15(13-16)21(26)24-19-7-8-20(25-11-2-1-3-12-25)17-9-10-23-14-18(17)19/h4-10,13-14H,1-3,11-12H2,(H,24,26)
InChIKeyNYHZUUIGAJECHY-UHFFFAOYSA-N
MW349.41 g/mol
LogP4.62
Rot. Bonds3

About 3-fluoro-N-(5-piperidin-1-ylisoquinolin-8-yl)benzamide

3-fluoro-N-(5-piperidin-1-ylisoquinolin-8-yl)benzamide (PubChem CID 41332803) has the molecular formula C21H20FN3O and a molecular weight of 349.41 g/mol. Its IUPAC name is 3-fluoro-N-(5-piperidin-1-ylisoquinolin-8-yl)benzamide.

Molecular Properties

Compound Name3-fluoro-N-(5-piperidin-1-ylisoquinolin-8-yl)benzamide
PubChem CID41332803
Molecular FormulaC21H20FN3O
Molecular Weight349.41 g/mol
Exact Mass349.16
IUPAC Name3-fluoro-N-(5-piperidin-1-ylisoquinolin-8-yl)benzamide
SMILESO=C(Nc1ccc(N2CCCCC2)c2ccncc12)c1cccc(F)c1
InChIInChI=1S/C21H20FN3O/c22-16-6-4-5-15(13-16)21(26)24-19-7-8-20(25-11-2-1-3-12-25)17-9-10-23-14-18(17)19/h4-10,13-14H,1-3,11-12H2,(H,24,26)
InChIKeyNYHZUUIGAJECHY-UHFFFAOYSA-N
XLogP4.62
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(5-piperidin-1-ylisoquinolin-8-yl)benzamide?
The IUPAC name of 3-fluoro-N-(5-piperidin-1-ylisoquinolin-8-yl)benzamide (CID 41332803) is 3-fluoro-N-(5-piperidin-1-ylisoquinolin-8-yl)benzamide.
What is the SMILES notation for 3-fluoro-N-(5-piperidin-1-ylisoquinolin-8-yl)benzamide?
The canonical SMILES for 3-fluoro-N-(5-piperidin-1-ylisoquinolin-8-yl)benzamide is O=C(Nc1ccc(N2CCCCC2)c2ccncc12)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-(5-piperidin-1-ylisoquinolin-8-yl)benzamide?
The InChIKey is NYHZUUIGAJECHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O/c22-16-6-4-5-15(13-16)21(26)24-19-7-8-20(25-11-2-1-3-12-25)17-9-10-23-14-18(17)19/h4-10,13-14H,1-3,11-12H2,(H,24,26).
What are the key properties of 3-fluoro-N-(5-piperidin-1-ylisoquinolin-8-yl)benzamide?
3-fluoro-N-(5-piperidin-1-ylisoquinolin-8-yl)benzamide has a molecular weight of 349.41 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(5-piperidin-1-ylisoquinolin-8-yl)benzamide is sourced from PubChem (CID 41332803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).