N-[3-(4-isoquinolin-1-ylpiperazin-1-yl)propyl]benzamide

C23H26N4O — CID 121417711

IUPACN-[3-(4-isoquinolin-1-ylpiperazin-1-yl)propyl]benzamide
SMILESO=C(NCCCN1CCN(c2nccc3ccccc23)CC1)c1ccccc1
InChIInChI=1S/C23H26N4O/c28-23(20-8-2-1-3-9-20)25-12-6-14-26-15-17-27(18-16-26)22-21-10-5-4-7-19(21)11-13-24-22/h1-5,7-11,13H,6,12,14-18H2,(H,25,28)
InChIKeyFJTUELRAUXXLBI-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.18
Rot. Bonds6

About N-[3-(4-isoquinolin-1-ylpiperazin-1-yl)propyl]benzamide

N-[3-(4-isoquinolin-1-ylpiperazin-1-yl)propyl]benzamide (PubChem CID 121417711) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is N-[3-(4-isoquinolin-1-ylpiperazin-1-yl)propyl]benzamide.

Molecular Properties

Compound NameN-[3-(4-isoquinolin-1-ylpiperazin-1-yl)propyl]benzamide
PubChem CID121417711
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC NameN-[3-(4-isoquinolin-1-ylpiperazin-1-yl)propyl]benzamide
SMILESO=C(NCCCN1CCN(c2nccc3ccccc23)CC1)c1ccccc1
InChIInChI=1S/C23H26N4O/c28-23(20-8-2-1-3-9-20)25-12-6-14-26-15-17-27(18-16-26)22-21-10-5-4-7-19(21)11-13-24-22/h1-5,7-11,13H,6,12,14-18H2,(H,25,28)
InChIKeyFJTUELRAUXXLBI-UHFFFAOYSA-N
XLogP3.18
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-(4-isoquinolin-1-ylpiperazin-1-yl)propyl]benzamide 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 N-[3-(4-isoquinolin-1-ylpiperazin-1-yl)propyl]benzamide?
The IUPAC name of N-[3-(4-isoquinolin-1-ylpiperazin-1-yl)propyl]benzamide (CID 121417711) is N-[3-(4-isoquinolin-1-ylpiperazin-1-yl)propyl]benzamide.
What is the SMILES notation for N-[3-(4-isoquinolin-1-ylpiperazin-1-yl)propyl]benzamide?
The canonical SMILES for N-[3-(4-isoquinolin-1-ylpiperazin-1-yl)propyl]benzamide is O=C(NCCCN1CCN(c2nccc3ccccc23)CC1)c1ccccc1.
What is the InChIKey of N-[3-(4-isoquinolin-1-ylpiperazin-1-yl)propyl]benzamide?
The InChIKey is FJTUELRAUXXLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c28-23(20-8-2-1-3-9-20)25-12-6-14-26-15-17-27(18-16-26)22-21-10-5-4-7-19(21)11-13-24-22/h1-5,7-11,13H,6,12,14-18H2,(H,25,28).
What are the key properties of N-[3-(4-isoquinolin-1-ylpiperazin-1-yl)propyl]benzamide?
N-[3-(4-isoquinolin-1-ylpiperazin-1-yl)propyl]benzamide has a molecular weight of 374.49 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-isoquinolin-1-ylpiperazin-1-yl)propyl]benzamide is sourced from PubChem (CID 121417711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).