6-(2,6-dimethoxyphenyl)-1-(quinolin-6-ylmethyl)piperidin-2-one

C23H24N2O3 — CID 69082681

IUPAC6-(2,6-dimethoxyphenyl)-1-(quinolin-6-ylmethyl)piperidin-2-one
SMILESCOc1cccc(OC)c1C1CCCC(=O)N1Cc1ccc2ncccc2c1
InChIInChI=1S/C23H24N2O3/c1-27-20-8-4-9-21(28-2)23(20)19-7-3-10-22(26)25(19)15-16-11-12-18-17(14-16)6-5-13-24-18/h4-6,8-9,11-14,19H,3,7,10,15H2,1-2H3
InChIKeyBMCFRYPTIUWHHV-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.51
Rot. Bonds5

About 6-(2,6-dimethoxyphenyl)-1-(quinolin-6-ylmethyl)piperidin-2-one

6-(2,6-dimethoxyphenyl)-1-(quinolin-6-ylmethyl)piperidin-2-one (PubChem CID 69082681) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 6-(2,6-dimethoxyphenyl)-1-(quinolin-6-ylmethyl)piperidin-2-one.

Molecular Properties

Compound Name6-(2,6-dimethoxyphenyl)-1-(quinolin-6-ylmethyl)piperidin-2-one
PubChem CID69082681
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name6-(2,6-dimethoxyphenyl)-1-(quinolin-6-ylmethyl)piperidin-2-one
SMILESCOc1cccc(OC)c1C1CCCC(=O)N1Cc1ccc2ncccc2c1
InChIInChI=1S/C23H24N2O3/c1-27-20-8-4-9-21(28-2)23(20)19-7-3-10-22(26)25(19)15-16-11-12-18-17(14-16)6-5-13-24-18/h4-6,8-9,11-14,19H,3,7,10,15H2,1-2H3
InChIKeyBMCFRYPTIUWHHV-UHFFFAOYSA-N
XLogP4.51
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-(2,6-dimethoxyphenyl)-1-(quinolin-6-ylmethyl)piperidin-2-one 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 6-(2,6-dimethoxyphenyl)-1-(quinolin-6-ylmethyl)piperidin-2-one?
The IUPAC name of 6-(2,6-dimethoxyphenyl)-1-(quinolin-6-ylmethyl)piperidin-2-one (CID 69082681) is 6-(2,6-dimethoxyphenyl)-1-(quinolin-6-ylmethyl)piperidin-2-one.
What is the SMILES notation for 6-(2,6-dimethoxyphenyl)-1-(quinolin-6-ylmethyl)piperidin-2-one?
The canonical SMILES for 6-(2,6-dimethoxyphenyl)-1-(quinolin-6-ylmethyl)piperidin-2-one is COc1cccc(OC)c1C1CCCC(=O)N1Cc1ccc2ncccc2c1.
What is the InChIKey of 6-(2,6-dimethoxyphenyl)-1-(quinolin-6-ylmethyl)piperidin-2-one?
The InChIKey is BMCFRYPTIUWHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-27-20-8-4-9-21(28-2)23(20)19-7-3-10-22(26)25(19)15-16-11-12-18-17(14-16)6-5-13-24-18/h4-6,8-9,11-14,19H,3,7,10,15H2,1-2H3.
What are the key properties of 6-(2,6-dimethoxyphenyl)-1-(quinolin-6-ylmethyl)piperidin-2-one?
6-(2,6-dimethoxyphenyl)-1-(quinolin-6-ylmethyl)piperidin-2-one has a molecular weight of 376.46 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dimethoxyphenyl)-1-(quinolin-6-ylmethyl)piperidin-2-one is sourced from PubChem (CID 69082681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).