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

C23H24N2O3S — CID 69082749

IUPAC6-(2,6-dimethoxyphenyl)-1-[[3-(1,3-thiazol-5-yl)phenyl]methyl]piperidin-2-one
SMILESCOc1cccc(OC)c1C1CCCC(=O)N1Cc1cccc(-c2cncs2)c1
InChIInChI=1S/C23H24N2O3S/c1-27-19-9-5-10-20(28-2)23(19)18-8-4-11-22(26)25(18)14-16-6-3-7-17(12-16)21-13-24-15-29-21/h3,5-7,9-10,12-13,15,18H,4,8,11,14H2,1-2H3
InChIKeyACRPTJULOPXGFI-UHFFFAOYSA-N
MW408.52 g/mol
LogP5.08
Rot. Bonds6

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

6-(2,6-dimethoxyphenyl)-1-[[3-(1,3-thiazol-5-yl)phenyl]methyl]piperidin-2-one (PubChem CID 69082749) 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-5-yl)phenyl]methyl]piperidin-2-one.

Molecular Properties

Compound Name6-(2,6-dimethoxyphenyl)-1-[[3-(1,3-thiazol-5-yl)phenyl]methyl]piperidin-2-one
PubChem CID69082749
Molecular FormulaC23H24N2O3S
Molecular Weight408.52 g/mol
Exact Mass408.15
IUPAC Name6-(2,6-dimethoxyphenyl)-1-[[3-(1,3-thiazol-5-yl)phenyl]methyl]piperidin-2-one
SMILESCOc1cccc(OC)c1C1CCCC(=O)N1Cc1cccc(-c2cncs2)c1
InChIInChI=1S/C23H24N2O3S/c1-27-19-9-5-10-20(28-2)23(19)18-8-4-11-22(26)25(18)14-16-6-3-7-17(12-16)21-13-24-15-29-21/h3,5-7,9-10,12-13,15,18H,4,8,11,14H2,1-2H3
InChIKeyACRPTJULOPXGFI-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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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dimethoxyphenyl)-1-[[3-(1,3-thiazol-5-yl)phenyl]methyl]piperidin-2-one?
The IUPAC name of 6-(2,6-dimethoxyphenyl)-1-[[3-(1,3-thiazol-5-yl)phenyl]methyl]piperidin-2-one (CID 69082749) is 6-(2,6-dimethoxyphenyl)-1-[[3-(1,3-thiazol-5-yl)phenyl]methyl]piperidin-2-one.
What is the SMILES notation for 6-(2,6-dimethoxyphenyl)-1-[[3-(1,3-thiazol-5-yl)phenyl]methyl]piperidin-2-one?
The canonical SMILES for 6-(2,6-dimethoxyphenyl)-1-[[3-(1,3-thiazol-5-yl)phenyl]methyl]piperidin-2-one is COc1cccc(OC)c1C1CCCC(=O)N1Cc1cccc(-c2cncs2)c1.
What is the InChIKey of 6-(2,6-dimethoxyphenyl)-1-[[3-(1,3-thiazol-5-yl)phenyl]methyl]piperidin-2-one?
The InChIKey is ACRPTJULOPXGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S/c1-27-19-9-5-10-20(28-2)23(19)18-8-4-11-22(26)25(18)14-16-6-3-7-17(12-16)21-13-24-15-29-21/h3,5-7,9-10,12-13,15,18H,4,8,11,14H2,1-2H3.
What are the key properties of 6-(2,6-dimethoxyphenyl)-1-[[3-(1,3-thiazol-5-yl)phenyl]methyl]piperidin-2-one?
6-(2,6-dimethoxyphenyl)-1-[[3-(1,3-thiazol-5-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-5-yl)phenyl]methyl]piperidin-2-one is sourced from PubChem (CID 69082749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).