2-(3-fluorophenyl)-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide

C22H22FN3O — CID 51111742

IUPAC2-(3-fluorophenyl)-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide
SMILESO=C(Cc1cccc(F)c1)Nc1ccc(N2CCCCC2)c2ccncc12
InChIInChI=1S/C22H22FN3O/c23-17-6-4-5-16(13-17)14-22(27)25-20-7-8-21(26-11-2-1-3-12-26)18-9-10-24-15-19(18)20/h4-10,13,15H,1-3,11-12,14H2,(H,25,27)
InChIKeyMTBBVQQMUNNRRY-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.55
Rot. Bonds4

About 2-(3-fluorophenyl)-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide

2-(3-fluorophenyl)-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide (PubChem CID 51111742) has the molecular formula C22H22FN3O and a molecular weight of 363.44 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide
PubChem CID51111742
Molecular FormulaC22H22FN3O
Molecular Weight363.44 g/mol
Exact Mass363.17
IUPAC Name2-(3-fluorophenyl)-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide
SMILESO=C(Cc1cccc(F)c1)Nc1ccc(N2CCCCC2)c2ccncc12
InChIInChI=1S/C22H22FN3O/c23-17-6-4-5-16(13-17)14-22(27)25-20-7-8-21(26-11-2-1-3-12-26)18-9-10-24-15-19(18)20/h4-10,13,15H,1-3,11-12,14H2,(H,25,27)
InChIKeyMTBBVQQMUNNRRY-UHFFFAOYSA-N
XLogP4.55
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-fluorophenyl)-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide?
The IUPAC name of 2-(3-fluorophenyl)-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide (CID 51111742) is 2-(3-fluorophenyl)-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide is O=C(Cc1cccc(F)c1)Nc1ccc(N2CCCCC2)c2ccncc12.
What is the InChIKey of 2-(3-fluorophenyl)-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide?
The InChIKey is MTBBVQQMUNNRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O/c23-17-6-4-5-16(13-17)14-22(27)25-20-7-8-21(26-11-2-1-3-12-26)18-9-10-24-15-19(18)20/h4-10,13,15H,1-3,11-12,14H2,(H,25,27).
What are the key properties of 2-(3-fluorophenyl)-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide?
2-(3-fluorophenyl)-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide has a molecular weight of 363.44 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide is sourced from PubChem (CID 51111742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).