(1-cyclobutylpiperidin-3-yl)-isoquinolin-6-ylmethanone

C19H22N2O — CID 121479168

IUPAC(1-cyclobutylpiperidin-3-yl)-isoquinolin-6-ylmethanone
SMILESO=C(c1ccc2cnccc2c1)C1CCCN(C2CCC2)C1
InChIInChI=1S/C19H22N2O/c22-19(15-6-7-16-12-20-9-8-14(16)11-15)17-3-2-10-21(13-17)18-4-1-5-18/h6-9,11-12,17-18H,1-5,10,13H2
InChIKeyBDPTUIIYKNMWIR-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.68
Rot. Bonds3

About (1-cyclobutylpiperidin-3-yl)-isoquinolin-6-ylmethanone

(1-cyclobutylpiperidin-3-yl)-isoquinolin-6-ylmethanone (PubChem CID 121479168) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is (1-cyclobutylpiperidin-3-yl)-isoquinolin-6-ylmethanone.

Molecular Properties

Compound Name(1-cyclobutylpiperidin-3-yl)-isoquinolin-6-ylmethanone
PubChem CID121479168
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name(1-cyclobutylpiperidin-3-yl)-isoquinolin-6-ylmethanone
SMILESO=C(c1ccc2cnccc2c1)C1CCCN(C2CCC2)C1
InChIInChI=1S/C19H22N2O/c22-19(15-6-7-16-12-20-9-8-14(16)11-15)17-3-2-10-21(13-17)18-4-1-5-18/h6-9,11-12,17-18H,1-5,10,13H2
InChIKeyBDPTUIIYKNMWIR-UHFFFAOYSA-N
XLogP3.68
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1-cyclobutylpiperidin-3-yl)-isoquinolin-6-ylmethanone 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 (1-cyclobutylpiperidin-3-yl)-isoquinolin-6-ylmethanone?
The IUPAC name of (1-cyclobutylpiperidin-3-yl)-isoquinolin-6-ylmethanone (CID 121479168) is (1-cyclobutylpiperidin-3-yl)-isoquinolin-6-ylmethanone.
What is the SMILES notation for (1-cyclobutylpiperidin-3-yl)-isoquinolin-6-ylmethanone?
The canonical SMILES for (1-cyclobutylpiperidin-3-yl)-isoquinolin-6-ylmethanone is O=C(c1ccc2cnccc2c1)C1CCCN(C2CCC2)C1.
What is the InChIKey of (1-cyclobutylpiperidin-3-yl)-isoquinolin-6-ylmethanone?
The InChIKey is BDPTUIIYKNMWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c22-19(15-6-7-16-12-20-9-8-14(16)11-15)17-3-2-10-21(13-17)18-4-1-5-18/h6-9,11-12,17-18H,1-5,10,13H2.
What are the key properties of (1-cyclobutylpiperidin-3-yl)-isoquinolin-6-ylmethanone?
(1-cyclobutylpiperidin-3-yl)-isoquinolin-6-ylmethanone has a molecular weight of 294.40 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclobutylpiperidin-3-yl)-isoquinolin-6-ylmethanone is sourced from PubChem (CID 121479168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).