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

C22H23N3O3S — CID 69084291

IUPAC6-(2,4-dimethoxy-3-pyridinyl)-1-[[3-(1,3-thiazol-2-yl)phenyl]methyl]piperidin-2-one
SMILESCOc1ccnc(OC)c1C1CCCC(=O)N1Cc1cccc(-c2nccs2)c1
InChIInChI=1S/C22H23N3O3S/c1-27-18-9-10-23-21(28-2)20(18)17-7-4-8-19(26)25(17)14-15-5-3-6-16(13-15)22-24-11-12-29-22/h3,5-6,9-13,17H,4,7-8,14H2,1-2H3
InChIKeyKPXAKWWRUYDCGE-UHFFFAOYSA-N
MW409.51 g/mol
LogP4.48
Rot. Bonds6

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

6-(2,4-dimethoxy-3-pyridinyl)-1-[[3-(1,3-thiazol-2-yl)phenyl]methyl]piperidin-2-one (PubChem CID 69084291) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is 6-(2,4-dimethoxy-3-pyridinyl)-1-[[3-(1,3-thiazol-2-yl)phenyl]methyl]piperidin-2-one.

Molecular Properties

Compound Name6-(2,4-dimethoxy-3-pyridinyl)-1-[[3-(1,3-thiazol-2-yl)phenyl]methyl]piperidin-2-one
PubChem CID69084291
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC Name6-(2,4-dimethoxy-3-pyridinyl)-1-[[3-(1,3-thiazol-2-yl)phenyl]methyl]piperidin-2-one
SMILESCOc1ccnc(OC)c1C1CCCC(=O)N1Cc1cccc(-c2nccs2)c1
InChIInChI=1S/C22H23N3O3S/c1-27-18-9-10-23-21(28-2)20(18)17-7-4-8-19(26)25(17)14-15-5-3-6-16(13-15)22-24-11-12-29-22/h3,5-6,9-13,17H,4,7-8,14H2,1-2H3
InChIKeyKPXAKWWRUYDCGE-UHFFFAOYSA-N
XLogP4.48
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethoxy-3-pyridinyl)-1-[[3-(1,3-thiazol-2-yl)phenyl]methyl]piperidin-2-one?
The IUPAC name of 6-(2,4-dimethoxy-3-pyridinyl)-1-[[3-(1,3-thiazol-2-yl)phenyl]methyl]piperidin-2-one (CID 69084291) is 6-(2,4-dimethoxy-3-pyridinyl)-1-[[3-(1,3-thiazol-2-yl)phenyl]methyl]piperidin-2-one.
What is the SMILES notation for 6-(2,4-dimethoxy-3-pyridinyl)-1-[[3-(1,3-thiazol-2-yl)phenyl]methyl]piperidin-2-one?
The canonical SMILES for 6-(2,4-dimethoxy-3-pyridinyl)-1-[[3-(1,3-thiazol-2-yl)phenyl]methyl]piperidin-2-one is COc1ccnc(OC)c1C1CCCC(=O)N1Cc1cccc(-c2nccs2)c1.
What is the InChIKey of 6-(2,4-dimethoxy-3-pyridinyl)-1-[[3-(1,3-thiazol-2-yl)phenyl]methyl]piperidin-2-one?
The InChIKey is KPXAKWWRUYDCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-27-18-9-10-23-21(28-2)20(18)17-7-4-8-19(26)25(17)14-15-5-3-6-16(13-15)22-24-11-12-29-22/h3,5-6,9-13,17H,4,7-8,14H2,1-2H3.
What are the key properties of 6-(2,4-dimethoxy-3-pyridinyl)-1-[[3-(1,3-thiazol-2-yl)phenyl]methyl]piperidin-2-one?
6-(2,4-dimethoxy-3-pyridinyl)-1-[[3-(1,3-thiazol-2-yl)phenyl]methyl]piperidin-2-one has a molecular weight of 409.51 g/mol, XLogP of 4.48, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dimethoxy-3-pyridinyl)-1-[[3-(1,3-thiazol-2-yl)phenyl]methyl]piperidin-2-one is sourced from PubChem (CID 69084291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).