2,2-dimethyl-N-(5-piperidin-1-ylisoquinolin-8-yl)propanamide

C19H25N3O — CID 37314160

IUPAC2,2-dimethyl-N-(5-piperidin-1-ylisoquinolin-8-yl)propanamide
SMILESCC(C)(C)C(=O)Nc1ccc(N2CCCCC2)c2ccncc12
InChIInChI=1S/C19H25N3O/c1-19(2,3)18(23)21-16-7-8-17(22-11-5-4-6-12-22)14-9-10-20-13-15(14)16/h7-10,13H,4-6,11-12H2,1-3H3,(H,21,23)
InChIKeyWKKZJLIYMDIYEY-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.21
Rot. Bonds2

About 2,2-dimethyl-N-(5-piperidin-1-ylisoquinolin-8-yl)propanamide

2,2-dimethyl-N-(5-piperidin-1-ylisoquinolin-8-yl)propanamide (PubChem CID 37314160) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 2,2-dimethyl-N-(5-piperidin-1-ylisoquinolin-8-yl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(5-piperidin-1-ylisoquinolin-8-yl)propanamide
PubChem CID37314160
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name2,2-dimethyl-N-(5-piperidin-1-ylisoquinolin-8-yl)propanamide
SMILESCC(C)(C)C(=O)Nc1ccc(N2CCCCC2)c2ccncc12
InChIInChI=1S/C19H25N3O/c1-19(2,3)18(23)21-16-7-8-17(22-11-5-4-6-12-22)14-9-10-20-13-15(14)16/h7-10,13H,4-6,11-12H2,1-3H3,(H,21,23)
InChIKeyWKKZJLIYMDIYEY-UHFFFAOYSA-N
XLogP4.21
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(5-piperidin-1-ylisoquinolin-8-yl)propanamide?
The IUPAC name of 2,2-dimethyl-N-(5-piperidin-1-ylisoquinolin-8-yl)propanamide (CID 37314160) is 2,2-dimethyl-N-(5-piperidin-1-ylisoquinolin-8-yl)propanamide.
What is the SMILES notation for 2,2-dimethyl-N-(5-piperidin-1-ylisoquinolin-8-yl)propanamide?
The canonical SMILES for 2,2-dimethyl-N-(5-piperidin-1-ylisoquinolin-8-yl)propanamide is CC(C)(C)C(=O)Nc1ccc(N2CCCCC2)c2ccncc12.
What is the InChIKey of 2,2-dimethyl-N-(5-piperidin-1-ylisoquinolin-8-yl)propanamide?
The InChIKey is WKKZJLIYMDIYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-19(2,3)18(23)21-16-7-8-17(22-11-5-4-6-12-22)14-9-10-20-13-15(14)16/h7-10,13H,4-6,11-12H2,1-3H3,(H,21,23).
What are the key properties of 2,2-dimethyl-N-(5-piperidin-1-ylisoquinolin-8-yl)propanamide?
2,2-dimethyl-N-(5-piperidin-1-ylisoquinolin-8-yl)propanamide has a molecular weight of 311.43 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(5-piperidin-1-ylisoquinolin-8-yl)propanamide is sourced from PubChem (CID 37314160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).