6-(2,6-dimethoxyphenyl)-1-[(2-methyl-1,3-benzothiazol-5-yl)methyl]piperidin-2-one

C22H24N2O3S — CID 69082475

IUPAC6-(2,6-dimethoxyphenyl)-1-[(2-methyl-1,3-benzothiazol-5-yl)methyl]piperidin-2-one
SMILESCOc1cccc(OC)c1C1CCCC(=O)N1Cc1ccc2sc(C)nc2c1
InChIInChI=1S/C22H24N2O3S/c1-14-23-16-12-15(10-11-20(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
InChIKeyOGPWWHGEUOVJDV-UHFFFAOYSA-N
MW396.51 g/mol
LogP4.88
Rot. Bonds5

About 6-(2,6-dimethoxyphenyl)-1-[(2-methyl-1,3-benzothiazol-5-yl)methyl]piperidin-2-one

6-(2,6-dimethoxyphenyl)-1-[(2-methyl-1,3-benzothiazol-5-yl)methyl]piperidin-2-one (PubChem CID 69082475) 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-5-yl)methyl]piperidin-2-one.

Molecular Properties

Compound Name6-(2,6-dimethoxyphenyl)-1-[(2-methyl-1,3-benzothiazol-5-yl)methyl]piperidin-2-one
PubChem CID69082475
Molecular FormulaC22H24N2O3S
Molecular Weight396.51 g/mol
Exact Mass396.15
IUPAC Name6-(2,6-dimethoxyphenyl)-1-[(2-methyl-1,3-benzothiazol-5-yl)methyl]piperidin-2-one
SMILESCOc1cccc(OC)c1C1CCCC(=O)N1Cc1ccc2sc(C)nc2c1
InChIInChI=1S/C22H24N2O3S/c1-14-23-16-12-15(10-11-20(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
InChIKeyOGPWWHGEUOVJDV-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

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dimethoxyphenyl)-1-[(2-methyl-1,3-benzothiazol-5-yl)methyl]piperidin-2-one?
The IUPAC name of 6-(2,6-dimethoxyphenyl)-1-[(2-methyl-1,3-benzothiazol-5-yl)methyl]piperidin-2-one (CID 69082475) is 6-(2,6-dimethoxyphenyl)-1-[(2-methyl-1,3-benzothiazol-5-yl)methyl]piperidin-2-one.
What is the SMILES notation for 6-(2,6-dimethoxyphenyl)-1-[(2-methyl-1,3-benzothiazol-5-yl)methyl]piperidin-2-one?
The canonical SMILES for 6-(2,6-dimethoxyphenyl)-1-[(2-methyl-1,3-benzothiazol-5-yl)methyl]piperidin-2-one is COc1cccc(OC)c1C1CCCC(=O)N1Cc1ccc2sc(C)nc2c1.
What is the InChIKey of 6-(2,6-dimethoxyphenyl)-1-[(2-methyl-1,3-benzothiazol-5-yl)methyl]piperidin-2-one?
The InChIKey is OGPWWHGEUOVJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3S/c1-14-23-16-12-15(10-11-20(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-5-yl)methyl]piperidin-2-one?
6-(2,6-dimethoxyphenyl)-1-[(2-methyl-1,3-benzothiazol-5-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-5-yl)methyl]piperidin-2-one is sourced from PubChem (CID 69082475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).