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

C23H24N2O4S — CID 69081326

IUPAC6-(2,6-dimethoxyphenyl)-1-[(2-phenoxy-1,3-thiazol-4-yl)methyl]piperidin-2-one
SMILESCOc1cccc(OC)c1C1CCCC(=O)N1Cc1csc(Oc2ccccc2)n1
InChIInChI=1S/C23H24N2O4S/c1-27-19-11-7-12-20(28-2)22(19)18-10-6-13-21(26)25(18)14-16-15-30-23(24-16)29-17-8-4-3-5-9-17/h3-5,7-9,11-12,15,18H,6,10,13-14H2,1-2H3
InChIKeyCKSSPOFRDLEYLY-UHFFFAOYSA-N
MW424.52 g/mol
LogP5.21
Rot. Bonds7

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

6-(2,6-dimethoxyphenyl)-1-[(2-phenoxy-1,3-thiazol-4-yl)methyl]piperidin-2-one (PubChem CID 69081326) has the molecular formula C23H24N2O4S and a molecular weight of 424.52 g/mol. Its IUPAC name is 6-(2,6-dimethoxyphenyl)-1-[(2-phenoxy-1,3-thiazol-4-yl)methyl]piperidin-2-one.

Molecular Properties

Compound Name6-(2,6-dimethoxyphenyl)-1-[(2-phenoxy-1,3-thiazol-4-yl)methyl]piperidin-2-one
PubChem CID69081326
Molecular FormulaC23H24N2O4S
Molecular Weight424.52 g/mol
Exact Mass424.15
IUPAC Name6-(2,6-dimethoxyphenyl)-1-[(2-phenoxy-1,3-thiazol-4-yl)methyl]piperidin-2-one
SMILESCOc1cccc(OC)c1C1CCCC(=O)N1Cc1csc(Oc2ccccc2)n1
InChIInChI=1S/C23H24N2O4S/c1-27-19-11-7-12-20(28-2)22(19)18-10-6-13-21(26)25(18)14-16-15-30-23(24-16)29-17-8-4-3-5-9-17/h3-5,7-9,11-12,15,18H,6,10,13-14H2,1-2H3
InChIKeyCKSSPOFRDLEYLY-UHFFFAOYSA-N
XLogP5.21
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.52
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dimethoxyphenyl)-1-[(2-phenoxy-1,3-thiazol-4-yl)methyl]piperidin-2-one?
The IUPAC name of 6-(2,6-dimethoxyphenyl)-1-[(2-phenoxy-1,3-thiazol-4-yl)methyl]piperidin-2-one (CID 69081326) is 6-(2,6-dimethoxyphenyl)-1-[(2-phenoxy-1,3-thiazol-4-yl)methyl]piperidin-2-one.
What is the SMILES notation for 6-(2,6-dimethoxyphenyl)-1-[(2-phenoxy-1,3-thiazol-4-yl)methyl]piperidin-2-one?
The canonical SMILES for 6-(2,6-dimethoxyphenyl)-1-[(2-phenoxy-1,3-thiazol-4-yl)methyl]piperidin-2-one is COc1cccc(OC)c1C1CCCC(=O)N1Cc1csc(Oc2ccccc2)n1.
What is the InChIKey of 6-(2,6-dimethoxyphenyl)-1-[(2-phenoxy-1,3-thiazol-4-yl)methyl]piperidin-2-one?
The InChIKey is CKSSPOFRDLEYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4S/c1-27-19-11-7-12-20(28-2)22(19)18-10-6-13-21(26)25(18)14-16-15-30-23(24-16)29-17-8-4-3-5-9-17/h3-5,7-9,11-12,15,18H,6,10,13-14H2,1-2H3.
What are the key properties of 6-(2,6-dimethoxyphenyl)-1-[(2-phenoxy-1,3-thiazol-4-yl)methyl]piperidin-2-one?
6-(2,6-dimethoxyphenyl)-1-[(2-phenoxy-1,3-thiazol-4-yl)methyl]piperidin-2-one has a molecular weight of 424.52 g/mol, XLogP of 5.21, 7 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-phenoxy-1,3-thiazol-4-yl)methyl]piperidin-2-one is sourced from PubChem (CID 69081326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).