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

C23H24N2O3S — CID 69082719

IUPAC6-(2,6-dimethoxyphenyl)-1-[[3-(1,3-thiazol-4-yl)phenyl]methyl]piperidin-2-one
SMILESCOc1cccc(OC)c1C1CCCC(=O)N1Cc1cccc(-c2cscn2)c1
InChIInChI=1S/C23H24N2O3S/c1-27-20-9-5-10-21(28-2)23(20)19-8-4-11-22(26)25(19)13-16-6-3-7-17(12-16)18-14-29-15-24-18/h3,5-7,9-10,12,14-15,19H,4,8,11,13H2,1-2H3
InChIKeySNYGOLUGMKPMQV-UHFFFAOYSA-N
MW408.52 g/mol
LogP5.08
Rot. Bonds6

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

6-(2,6-dimethoxyphenyl)-1-[[3-(1,3-thiazol-4-yl)phenyl]methyl]piperidin-2-one (PubChem CID 69082719) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is 6-(2,6-dimethoxyphenyl)-1-[[3-(1,3-thiazol-4-yl)phenyl]methyl]piperidin-2-one.

Molecular Properties

Compound Name6-(2,6-dimethoxyphenyl)-1-[[3-(1,3-thiazol-4-yl)phenyl]methyl]piperidin-2-one
PubChem CID69082719
Molecular FormulaC23H24N2O3S
Molecular Weight408.52 g/mol
Exact Mass408.15
IUPAC Name6-(2,6-dimethoxyphenyl)-1-[[3-(1,3-thiazol-4-yl)phenyl]methyl]piperidin-2-one
SMILESCOc1cccc(OC)c1C1CCCC(=O)N1Cc1cccc(-c2cscn2)c1
InChIInChI=1S/C23H24N2O3S/c1-27-20-9-5-10-21(28-2)23(20)19-8-4-11-22(26)25(19)13-16-6-3-7-17(12-16)18-14-29-15-24-18/h3,5-7,9-10,12,14-15,19H,4,8,11,13H2,1-2H3
InChIKeySNYGOLUGMKPMQV-UHFFFAOYSA-N
XLogP5.08
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.52
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2,4-Dimethoxypyridin-3-yl)-1-((2-phenylthiazol-4-yl)methyl)piperidin-2-one
CID 69081444
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
7-(2,6-Dimethoxyphenyl)-1-(3-(5-methylthiazol-2-yl)benzyl)azepan-2-one
CID 69082598
7-(2,6-Dimethoxyphenyl)-1-(3-(2-methylthiazol-4-yl)benzyl)azepan-2-one
CID 69082689
5-(2,6-Dimethoxyphenyl)-3-methyl-1-((2-phenylthiazol-4-yl)methyl)pyrrolidin-2-one
CID 69080909
6-(2,3-Dihydrobenzo[b][1,4]dioxin-5-yl)-1-(3-(2-methylthiazol-4-yl)benzyl)piperidin-2-one
CID 69080983
6-(2,6-Dimethoxyphenyl)-1-((2-phenoxythiazol-4-yl)methyl)piperidin-2-one
CID 69081326
6-(3,5-Dimethoxypyridin-4-yl)-1-(3-(2-methylthiazol-4-yl)benzyl)piperidin-2-one
CID 69081780
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-[[3-(1,3-thiazol-4-yl)phenyl]methyl]piperidin-2-one?
The IUPAC name of 6-(2,6-dimethoxyphenyl)-1-[[3-(1,3-thiazol-4-yl)phenyl]methyl]piperidin-2-one (CID 69082719) is 6-(2,6-dimethoxyphenyl)-1-[[3-(1,3-thiazol-4-yl)phenyl]methyl]piperidin-2-one.
What is the SMILES notation for 6-(2,6-dimethoxyphenyl)-1-[[3-(1,3-thiazol-4-yl)phenyl]methyl]piperidin-2-one?
The canonical SMILES for 6-(2,6-dimethoxyphenyl)-1-[[3-(1,3-thiazol-4-yl)phenyl]methyl]piperidin-2-one is COc1cccc(OC)c1C1CCCC(=O)N1Cc1cccc(-c2cscn2)c1.
What is the InChIKey of 6-(2,6-dimethoxyphenyl)-1-[[3-(1,3-thiazol-4-yl)phenyl]methyl]piperidin-2-one?
The InChIKey is SNYGOLUGMKPMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S/c1-27-20-9-5-10-21(28-2)23(20)19-8-4-11-22(26)25(19)13-16-6-3-7-17(12-16)18-14-29-15-24-18/h3,5-7,9-10,12,14-15,19H,4,8,11,13H2,1-2H3.
What are the key properties of 6-(2,6-dimethoxyphenyl)-1-[[3-(1,3-thiazol-4-yl)phenyl]methyl]piperidin-2-one?
6-(2,6-dimethoxyphenyl)-1-[[3-(1,3-thiazol-4-yl)phenyl]methyl]piperidin-2-one has a molecular weight of 408.52 g/mol, XLogP of 5.08, 6 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-[[3-(1,3-thiazol-4-yl)phenyl]methyl]piperidin-2-one is sourced from PubChem (CID 69082719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).