N-[1-[(6-chloroisoquinolin-1-yl)methyl]piperidin-4-yl]-N-methylbenzamide

C23H24ClN3O — CID 167883427

IUPACN-[1-[(6-chloroisoquinolin-1-yl)methyl]piperidin-4-yl]-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1)C1CCN(Cc2nccc3cc(Cl)ccc23)CC1
InChIInChI=1S/C23H24ClN3O/c1-26(23(28)17-5-3-2-4-6-17)20-10-13-27(14-11-20)16-22-21-8-7-19(24)15-18(21)9-12-25-22/h2-9,12,15,20H,10-11,13-14,16H2,1H3
InChIKeyGCPQHOHZDMHLBM-UHFFFAOYSA-N
MW393.92 g/mol
LogP4.62
Rot. Bonds4

About N-[1-[(6-chloroisoquinolin-1-yl)methyl]piperidin-4-yl]-N-methylbenzamide

N-[1-[(6-chloroisoquinolin-1-yl)methyl]piperidin-4-yl]-N-methylbenzamide (PubChem CID 167883427) has the molecular formula C23H24ClN3O and a molecular weight of 393.92 g/mol. Its IUPAC name is N-[1-[(6-chloroisoquinolin-1-yl)methyl]piperidin-4-yl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[1-[(6-chloroisoquinolin-1-yl)methyl]piperidin-4-yl]-N-methylbenzamide
PubChem CID167883427
Molecular FormulaC23H24ClN3O
Molecular Weight393.92 g/mol
Exact Mass393.16
IUPAC NameN-[1-[(6-chloroisoquinolin-1-yl)methyl]piperidin-4-yl]-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1)C1CCN(Cc2nccc3cc(Cl)ccc23)CC1
InChIInChI=1S/C23H24ClN3O/c1-26(23(28)17-5-3-2-4-6-17)20-10-13-27(14-11-20)16-22-21-8-7-19(24)15-18(21)9-12-25-22/h2-9,12,15,20H,10-11,13-14,16H2,1H3
InChIKeyGCPQHOHZDMHLBM-UHFFFAOYSA-N
XLogP4.62
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.92
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[1-[(6-chloroisoquinolin-1-yl)methyl]piperidin-4-yl]-N-methylbenzamide 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-[1-[(6-chloroisoquinolin-1-yl)methyl]piperidin-4-yl]-N-methylbenzamide?
The IUPAC name of N-[1-[(6-chloroisoquinolin-1-yl)methyl]piperidin-4-yl]-N-methylbenzamide (CID 167883427) is N-[1-[(6-chloroisoquinolin-1-yl)methyl]piperidin-4-yl]-N-methylbenzamide.
What is the SMILES notation for N-[1-[(6-chloroisoquinolin-1-yl)methyl]piperidin-4-yl]-N-methylbenzamide?
The canonical SMILES for N-[1-[(6-chloroisoquinolin-1-yl)methyl]piperidin-4-yl]-N-methylbenzamide is CN(C(=O)c1ccccc1)C1CCN(Cc2nccc3cc(Cl)ccc23)CC1.
What is the InChIKey of N-[1-[(6-chloroisoquinolin-1-yl)methyl]piperidin-4-yl]-N-methylbenzamide?
The InChIKey is GCPQHOHZDMHLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O/c1-26(23(28)17-5-3-2-4-6-17)20-10-13-27(14-11-20)16-22-21-8-7-19(24)15-18(21)9-12-25-22/h2-9,12,15,20H,10-11,13-14,16H2,1H3.
What are the key properties of N-[1-[(6-chloroisoquinolin-1-yl)methyl]piperidin-4-yl]-N-methylbenzamide?
N-[1-[(6-chloroisoquinolin-1-yl)methyl]piperidin-4-yl]-N-methylbenzamide has a molecular weight of 393.92 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(6-chloroisoquinolin-1-yl)methyl]piperidin-4-yl]-N-methylbenzamide is sourced from PubChem (CID 167883427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).