N-(5-piperidin-1-ylisoquinolin-8-yl)cyclobutanecarboxamide

C19H23N3O — CID 26074505

IUPACN-(5-piperidin-1-ylisoquinolin-8-yl)cyclobutanecarboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)c2ccncc12)C1CCC1
InChIInChI=1S/C19H23N3O/c23-19(14-5-4-6-14)21-17-7-8-18(22-11-2-1-3-12-22)15-9-10-20-13-16(15)17/h7-10,13-14H,1-6,11-12H2,(H,21,23)
InChIKeyIYBYDOQBGYSOBJ-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.96
Rot. Bonds3

About N-(5-piperidin-1-ylisoquinolin-8-yl)cyclobutanecarboxamide

N-(5-piperidin-1-ylisoquinolin-8-yl)cyclobutanecarboxamide (PubChem CID 26074505) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is N-(5-piperidin-1-ylisoquinolin-8-yl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(5-piperidin-1-ylisoquinolin-8-yl)cyclobutanecarboxamide
PubChem CID26074505
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC NameN-(5-piperidin-1-ylisoquinolin-8-yl)cyclobutanecarboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)c2ccncc12)C1CCC1
InChIInChI=1S/C19H23N3O/c23-19(14-5-4-6-14)21-17-7-8-18(22-11-2-1-3-12-22)15-9-10-20-13-16(15)17/h7-10,13-14H,1-6,11-12H2,(H,21,23)
InChIKeyIYBYDOQBGYSOBJ-UHFFFAOYSA-N
XLogP3.96
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-piperidin-1-ylisoquinolin-8-yl)cyclobutanecarboxamide?
The IUPAC name of N-(5-piperidin-1-ylisoquinolin-8-yl)cyclobutanecarboxamide (CID 26074505) is N-(5-piperidin-1-ylisoquinolin-8-yl)cyclobutanecarboxamide.
What is the SMILES notation for N-(5-piperidin-1-ylisoquinolin-8-yl)cyclobutanecarboxamide?
The canonical SMILES for N-(5-piperidin-1-ylisoquinolin-8-yl)cyclobutanecarboxamide is O=C(Nc1ccc(N2CCCCC2)c2ccncc12)C1CCC1.
What is the InChIKey of N-(5-piperidin-1-ylisoquinolin-8-yl)cyclobutanecarboxamide?
The InChIKey is IYBYDOQBGYSOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c23-19(14-5-4-6-14)21-17-7-8-18(22-11-2-1-3-12-22)15-9-10-20-13-16(15)17/h7-10,13-14H,1-6,11-12H2,(H,21,23).
What are the key properties of N-(5-piperidin-1-ylisoquinolin-8-yl)cyclobutanecarboxamide?
N-(5-piperidin-1-ylisoquinolin-8-yl)cyclobutanecarboxamide has a molecular weight of 309.41 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-piperidin-1-ylisoquinolin-8-yl)cyclobutanecarboxamide is sourced from PubChem (CID 26074505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).