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

C24H25ClN2O3S — CID 69082698

IUPAC6-(3-chloro-2,6-dimethoxyphenyl)-1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]piperidin-2-one
SMILESCOc1ccc(Cl)c(OC)c1C1CCCC(=O)N1Cc1cccc(-c2csc(C)n2)c1
InChIInChI=1S/C24H25ClN2O3S/c1-15-26-19(14-31-15)17-7-4-6-16(12-17)13-27-20(8-5-9-22(27)28)23-21(29-2)11-10-18(25)24(23)30-3/h4,6-7,10-12,14,20H,5,8-9,13H2,1-3H3
InChIKeyFLTSGWXTULXAQL-UHFFFAOYSA-N
MW457.00 g/mol
LogP6.04
Rot. Bonds6

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

6-(3-chloro-2,6-dimethoxyphenyl)-1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]piperidin-2-one (PubChem CID 69082698) has the molecular formula C24H25ClN2O3S and a molecular weight of 457.00 g/mol. Its IUPAC name is 6-(3-chloro-2,6-dimethoxyphenyl)-1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]piperidin-2-one.

Molecular Properties

Compound Name6-(3-chloro-2,6-dimethoxyphenyl)-1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]piperidin-2-one
PubChem CID69082698
Molecular FormulaC24H25ClN2O3S
Molecular Weight457.00 g/mol
Exact Mass456.13
IUPAC Name6-(3-chloro-2,6-dimethoxyphenyl)-1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]piperidin-2-one
SMILESCOc1ccc(Cl)c(OC)c1C1CCCC(=O)N1Cc1cccc(-c2csc(C)n2)c1
InChIInChI=1S/C24H25ClN2O3S/c1-15-26-19(14-31-15)17-7-4-6-16(12-17)13-27-20(8-5-9-22(27)28)23-21(29-2)11-10-18(25)24(23)30-3/h4,6-7,10-12,14,20H,5,8-9,13H2,1-3H3
InChIKeyFLTSGWXTULXAQL-UHFFFAOYSA-N
XLogP6.04
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.00
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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-(2-methylthiazol-4-yl)benzyl)azepan-2-one
CID 69082689
6-(2,6-Dimethoxyphenyl)-1-((2-phenoxythiazol-4-yl)methyl)piperidin-2-one
CID 69081326
5-(2,6-Dimethoxyphenyl)-1-(3-(2-methylthiazol-4-yl)benzyl)pyrrolidin-2-one
CID 69082708
6-(2,6-Dimethoxyphenyl)-1-(3-(thiazol-4-yl)benzyl)piperidin-2-one
CID 69082719
7-(2,6-Dimethoxyphenyl)-1-((2-phenylthiazol-4-yl)methyl)azepan-2-one
CID 69083153
5-(2,6-Dimethoxyphenyl)-3-methyl-1-(3-(2-methylthiazol-4-yl)benzyl)pyrrolidin-2-one
CID 69083626
6-(2,6-Dimethoxyphenyl)-1-(3-(thiazol-2-yl)benzyl)piperidin-2-one
CID 69083771
7-(2,6-Dimethoxyphenyl)-1-(3-(thiazol-4-yl)benzyl)azepan-2-one
CID 69084573
6-(2,6-Dimethoxyphenyl)-1-((2-methylthiazol-4-yl)methyl)piperidin-2-one
CID 69084084
(5-Chloro-2-methoxyphenyl)-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]methanone
CID 29698336

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-2,6-dimethoxyphenyl)-1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]piperidin-2-one?
The IUPAC name of 6-(3-chloro-2,6-dimethoxyphenyl)-1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]piperidin-2-one (CID 69082698) is 6-(3-chloro-2,6-dimethoxyphenyl)-1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]piperidin-2-one.
What is the SMILES notation for 6-(3-chloro-2,6-dimethoxyphenyl)-1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]piperidin-2-one?
The canonical SMILES for 6-(3-chloro-2,6-dimethoxyphenyl)-1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]piperidin-2-one is COc1ccc(Cl)c(OC)c1C1CCCC(=O)N1Cc1cccc(-c2csc(C)n2)c1.
What is the InChIKey of 6-(3-chloro-2,6-dimethoxyphenyl)-1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]piperidin-2-one?
The InChIKey is FLTSGWXTULXAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O3S/c1-15-26-19(14-31-15)17-7-4-6-16(12-17)13-27-20(8-5-9-22(27)28)23-21(29-2)11-10-18(25)24(23)30-3/h4,6-7,10-12,14,20H,5,8-9,13H2,1-3H3.
What are the key properties of 6-(3-chloro-2,6-dimethoxyphenyl)-1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]piperidin-2-one?
6-(3-chloro-2,6-dimethoxyphenyl)-1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]piperidin-2-one has a molecular weight of 457.00 g/mol, XLogP of 6.04, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-2,6-dimethoxyphenyl)-1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]piperidin-2-one is sourced from PubChem (CID 69082698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).