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

C18H22N2O3S — CID 69084084

IUPAC6-(2,6-dimethoxyphenyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-2-one
SMILESCOc1cccc(OC)c1C1CCCC(=O)N1Cc1csc(C)n1
InChIInChI=1S/C18H22N2O3S/c1-12-19-13(11-24-12)10-20-14(6-4-9-17(20)21)18-15(22-2)7-5-8-16(18)23-3/h5,7-8,11,14H,4,6,9-10H2,1-3H3
InChIKeyAWEIXZLKENNCKP-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.72
Rot. Bonds5

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

6-(2,6-dimethoxyphenyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-2-one (PubChem CID 69084084) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 6-(2,6-dimethoxyphenyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-2-one.

Molecular Properties

Compound Name6-(2,6-dimethoxyphenyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-2-one
PubChem CID69084084
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name6-(2,6-dimethoxyphenyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-2-one
SMILESCOc1cccc(OC)c1C1CCCC(=O)N1Cc1csc(C)n1
InChIInChI=1S/C18H22N2O3S/c1-12-19-13(11-24-12)10-20-14(6-4-9-17(20)21)18-15(22-2)7-5-8-16(18)23-3/h5,7-8,11,14H,4,6,9-10H2,1-3H3
InChIKeyAWEIXZLKENNCKP-UHFFFAOYSA-N
XLogP3.72
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.72
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-thiazol-4-yl)methyl]piperidin-2-one?
The IUPAC name of 6-(2,6-dimethoxyphenyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-2-one (CID 69084084) is 6-(2,6-dimethoxyphenyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-2-one.
What is the SMILES notation for 6-(2,6-dimethoxyphenyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-2-one?
The canonical SMILES for 6-(2,6-dimethoxyphenyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-2-one is COc1cccc(OC)c1C1CCCC(=O)N1Cc1csc(C)n1.
What is the InChIKey of 6-(2,6-dimethoxyphenyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-2-one?
The InChIKey is AWEIXZLKENNCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-12-19-13(11-24-12)10-20-14(6-4-9-17(20)21)18-15(22-2)7-5-8-16(18)23-3/h5,7-8,11,14H,4,6,9-10H2,1-3H3.
What are the key properties of 6-(2,6-dimethoxyphenyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-2-one?
6-(2,6-dimethoxyphenyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-2-one has a molecular weight of 346.45 g/mol, XLogP of 3.72, 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-thiazol-4-yl)methyl]piperidin-2-one is sourced from PubChem (CID 69084084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).