6-(2,6-dimethoxyphenyl)-1-[[2-(1,3-thiazol-2-yl)-4-pyridinyl]methyl]piperidin-2-one

C22H23N3O3S — CID 69081742

IUPAC6-(2,6-dimethoxyphenyl)-1-[[2-(1,3-thiazol-2-yl)-4-pyridinyl]methyl]piperidin-2-one
SMILESCOc1cccc(OC)c1C1CCCC(=O)N1Cc1ccnc(-c2nccs2)c1
InChIInChI=1S/C22H23N3O3S/c1-27-18-6-4-7-19(28-2)21(18)17-5-3-8-20(26)25(17)14-15-9-10-23-16(13-15)22-24-11-12-29-22/h4,6-7,9-13,17H,3,5,8,14H2,1-2H3
InChIKeyKADANZJOWRDPNQ-UHFFFAOYSA-N
MW409.51 g/mol
LogP4.48
Rot. Bonds6

About 6-(2,6-dimethoxyphenyl)-1-[[2-(1,3-thiazol-2-yl)-4-pyridinyl]methyl]piperidin-2-one

6-(2,6-dimethoxyphenyl)-1-[[2-(1,3-thiazol-2-yl)-4-pyridinyl]methyl]piperidin-2-one (PubChem CID 69081742) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is 6-(2,6-dimethoxyphenyl)-1-[[2-(1,3-thiazol-2-yl)-4-pyridinyl]methyl]piperidin-2-one.

Molecular Properties

Compound Name6-(2,6-dimethoxyphenyl)-1-[[2-(1,3-thiazol-2-yl)-4-pyridinyl]methyl]piperidin-2-one
PubChem CID69081742
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC Name6-(2,6-dimethoxyphenyl)-1-[[2-(1,3-thiazol-2-yl)-4-pyridinyl]methyl]piperidin-2-one
SMILESCOc1cccc(OC)c1C1CCCC(=O)N1Cc1ccnc(-c2nccs2)c1
InChIInChI=1S/C22H23N3O3S/c1-27-18-6-4-7-19(28-2)21(18)17-5-3-8-20(26)25(17)14-15-9-10-23-16(13-15)22-24-11-12-29-22/h4,6-7,9-13,17H,3,5,8,14H2,1-2H3
InChIKeyKADANZJOWRDPNQ-UHFFFAOYSA-N
XLogP4.48
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-(2,6-dimethoxyphenyl)-1-[[2-(1,3-thiazol-2-yl)-4-pyridinyl]methyl]piperidin-2-one with MolForge

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Related Compounds

6-(2,6-Dimethoxyphenyl)-1-((2-phenylpyridin-4-yl)methyl)piperidin-2-one
CID 69080156
6-(2,4-Dimethoxypyridin-3-yl)-1-((2-phenylthiazol-4-yl)methyl)piperidin-2-one
CID 69081444
6-(2,6-Dimethoxyphenyl)-1-(3-(pyridin-2-yl)benzyl)piperidin-2-one
CID 69081570
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
7-(2,6-Dimethoxyphenyl)-1-(3-(5-methylthiazol-2-yl)benzyl)azepan-2-one
CID 69082598
6-(2,6-Dimethoxyphenyl)-1-((2-phenoxythiazol-4-yl)methyl)piperidin-2-one
CID 69081326
5-(2-Fluoro-6-methoxyphenyl)-3-methyl-1-((2-(5-methylthiazol-2-yl)pyridin-4-yl)methyl)pyrrolidin-2-one
CID 69081607
6-(3,5-Dimethoxypyridin-4-yl)-1-(3-(2-methylthiazol-4-yl)benzyl)piperidin-2-one
CID 69081780
5-(2-Ethoxy-6-fluorophenyl)-3-methyl-1-((2-(4-methylthiazol-2-yl)pyridin-4-yl)methyl)pyrrolidin-2-one
CID 69081839
6-(2,6-Dimethoxyphenyl)-1-((2-phenylthiazol-5-yl)methyl)piperidin-2-one
CID 69082410

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dimethoxyphenyl)-1-[[2-(1,3-thiazol-2-yl)-4-pyridinyl]methyl]piperidin-2-one?
The IUPAC name of 6-(2,6-dimethoxyphenyl)-1-[[2-(1,3-thiazol-2-yl)-4-pyridinyl]methyl]piperidin-2-one (CID 69081742) is 6-(2,6-dimethoxyphenyl)-1-[[2-(1,3-thiazol-2-yl)-4-pyridinyl]methyl]piperidin-2-one.
What is the SMILES notation for 6-(2,6-dimethoxyphenyl)-1-[[2-(1,3-thiazol-2-yl)-4-pyridinyl]methyl]piperidin-2-one?
The canonical SMILES for 6-(2,6-dimethoxyphenyl)-1-[[2-(1,3-thiazol-2-yl)-4-pyridinyl]methyl]piperidin-2-one is COc1cccc(OC)c1C1CCCC(=O)N1Cc1ccnc(-c2nccs2)c1.
What is the InChIKey of 6-(2,6-dimethoxyphenyl)-1-[[2-(1,3-thiazol-2-yl)-4-pyridinyl]methyl]piperidin-2-one?
The InChIKey is KADANZJOWRDPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-27-18-6-4-7-19(28-2)21(18)17-5-3-8-20(26)25(17)14-15-9-10-23-16(13-15)22-24-11-12-29-22/h4,6-7,9-13,17H,3,5,8,14H2,1-2H3.
What are the key properties of 6-(2,6-dimethoxyphenyl)-1-[[2-(1,3-thiazol-2-yl)-4-pyridinyl]methyl]piperidin-2-one?
6-(2,6-dimethoxyphenyl)-1-[[2-(1,3-thiazol-2-yl)-4-pyridinyl]methyl]piperidin-2-one has a molecular weight of 409.51 g/mol, XLogP of 4.48, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dimethoxyphenyl)-1-[[2-(1,3-thiazol-2-yl)-4-pyridinyl]methyl]piperidin-2-one is sourced from PubChem (CID 69081742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).