6-(2,6-dimethoxyphenyl)-1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]piperidin-2-one

C22H24N2O3S — CID 69083655

IUPAC6-(2,6-dimethoxyphenyl)-1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]piperidin-2-one
SMILESCOc1cccc(OC)c1C1CCCC(=O)N1Cc1ccc2nc(C)sc2c1
InChIInChI=1S/C22H24N2O3S/c1-14-23-16-11-10-15(12-20(16)28-14)13-24-17(6-4-9-21(24)25)22-18(26-2)7-5-8-19(22)27-3/h5,7-8,10-12,17H,4,6,9,13H2,1-3H3
InChIKeyZFDIAPGSYMZGRJ-UHFFFAOYSA-N
MW396.51 g/mol
LogP4.88
Rot. Bonds5

About 6-(2,6-dimethoxyphenyl)-1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]piperidin-2-one

6-(2,6-dimethoxyphenyl)-1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]piperidin-2-one (PubChem CID 69083655) has the molecular formula C22H24N2O3S and a molecular weight of 396.51 g/mol. Its IUPAC name is 6-(2,6-dimethoxyphenyl)-1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]piperidin-2-one.

Molecular Properties

Compound Name6-(2,6-dimethoxyphenyl)-1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]piperidin-2-one
PubChem CID69083655
Molecular FormulaC22H24N2O3S
Molecular Weight396.51 g/mol
Exact Mass396.15
IUPAC Name6-(2,6-dimethoxyphenyl)-1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]piperidin-2-one
SMILESCOc1cccc(OC)c1C1CCCC(=O)N1Cc1ccc2nc(C)sc2c1
InChIInChI=1S/C22H24N2O3S/c1-14-23-16-11-10-15(12-20(16)28-14)13-24-17(6-4-9-21(24)25)22-18(26-2)7-5-8-19(22)27-3/h5,7-8,10-12,17H,4,6,9,13H2,1-3H3
InChIKeyZFDIAPGSYMZGRJ-UHFFFAOYSA-N
XLogP4.88
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-(2,6-dimethoxyphenyl)-1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]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

Related Compounds

6-(2,6-Dimethoxyphenyl)-1-((2-(thiazol-2-yl)pyridin-4-yl)methyl)piperidin-2-one
CID 69081742
6-(2,6-Dimethoxyphenyl)-1-((2-methylbenzo[d]thiazol-5-yl)methyl)piperidin-2-one
CID 69082475
6-(2,6-Dimethoxyphenyl)-1-((2-phenylthiazol-4-yl)methyl)piperidin-2-one
CID 69082510
6-(2,6-Dimethoxyphenyl)-1-(3-(2-methylthiazol-4-yl)benzyl)piperidin-2-one
CID 69082516
5-(2,6-Dimethoxyphenyl)-3-methyl-1-((2-methylbenzo[d]thiazol-5-yl)methyl)pyrrolidin-2-one
CID 76324989
6-(2,6-Dimethoxyphenyl)-1-((2-phenylthiazol-5-yl)methyl)piperidin-2-one
CID 69082410
5-(2,6-Dimethoxyphenyl)-3-methyl-1-((2-methylbenzo[d]thiazol-6-yl)methyl)pyrrolidin-2-one
CID 69082450
6-(2,6-Dimethoxyphenyl)-1-(3-(thiazol-4-yl)benzyl)piperidin-2-one
CID 69082719
6-(2,6-Dimethoxyphenyl)-1-(3-(5-methylthiazol-2-yl)benzyl)piperidin-2-one
CID 69083268
6-(2,6-Dimethoxyphenyl)-1-((6-(thiazol-2-yl)pyridin-2-yl)methyl)piperidin-2-one
CID 69084318
1-(Benzo[d]thiazol-2-ylmethyl)-6-(2,6-dimethoxyphenyl)piperidin-2-one
CID 86695636
7-(2,6-Dimethoxyphenyl)-1-((2-methylbenzo[d]thiazol-5-yl)methyl)azepan-2-one
CID 86695642

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dimethoxyphenyl)-1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]piperidin-2-one?
The IUPAC name of 6-(2,6-dimethoxyphenyl)-1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]piperidin-2-one (CID 69083655) is 6-(2,6-dimethoxyphenyl)-1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]piperidin-2-one.
What is the SMILES notation for 6-(2,6-dimethoxyphenyl)-1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]piperidin-2-one?
The canonical SMILES for 6-(2,6-dimethoxyphenyl)-1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]piperidin-2-one is COc1cccc(OC)c1C1CCCC(=O)N1Cc1ccc2nc(C)sc2c1.
What is the InChIKey of 6-(2,6-dimethoxyphenyl)-1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]piperidin-2-one?
The InChIKey is ZFDIAPGSYMZGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3S/c1-14-23-16-11-10-15(12-20(16)28-14)13-24-17(6-4-9-21(24)25)22-18(26-2)7-5-8-19(22)27-3/h5,7-8,10-12,17H,4,6,9,13H2,1-3H3.
What are the key properties of 6-(2,6-dimethoxyphenyl)-1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]piperidin-2-one?
6-(2,6-dimethoxyphenyl)-1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]piperidin-2-one has a molecular weight of 396.51 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dimethoxyphenyl)-1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]piperidin-2-one is sourced from PubChem (CID 69083655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).