6-(3,5-dimethoxy-4-pyridinyl)-1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]piperidin-2-one

C23H25N3O3S — CID 69081780

IUPAC6-(3,5-dimethoxy-4-pyridinyl)-1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]piperidin-2-one
SMILESCOc1cncc(OC)c1C1CCCC(=O)N1Cc1cccc(-c2csc(C)n2)c1
InChIInChI=1S/C23H25N3O3S/c1-15-25-18(14-30-15)17-7-4-6-16(10-17)13-26-19(8-5-9-22(26)27)23-20(28-2)11-24-12-21(23)29-3/h4,6-7,10-12,14,19H,5,8-9,13H2,1-3H3
InChIKeyWQXMHQDZFSMJQA-UHFFFAOYSA-N
MW423.54 g/mol
LogP4.78
Rot. Bonds6

About 6-(3,5-dimethoxy-4-pyridinyl)-1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]piperidin-2-one

6-(3,5-dimethoxy-4-pyridinyl)-1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]piperidin-2-one (PubChem CID 69081780) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is 6-(3,5-dimethoxy-4-pyridinyl)-1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]piperidin-2-one.

Molecular Properties

Compound Name6-(3,5-dimethoxy-4-pyridinyl)-1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]piperidin-2-one
PubChem CID69081780
Molecular FormulaC23H25N3O3S
Molecular Weight423.54 g/mol
Exact Mass423.16
IUPAC Name6-(3,5-dimethoxy-4-pyridinyl)-1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]piperidin-2-one
SMILESCOc1cncc(OC)c1C1CCCC(=O)N1Cc1cccc(-c2csc(C)n2)c1
InChIInChI=1S/C23H25N3O3S/c1-15-25-18(14-30-15)17-7-4-6-16(10-17)13-26-19(8-5-9-22(26)27)23-20(28-2)11-24-12-21(23)29-3/h4,6-7,10-12,14,19H,5,8-9,13H2,1-3H3
InChIKeyWQXMHQDZFSMJQA-UHFFFAOYSA-N
XLogP4.78
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethoxy-4-pyridinyl)-1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]piperidin-2-one?
The IUPAC name of 6-(3,5-dimethoxy-4-pyridinyl)-1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]piperidin-2-one (CID 69081780) is 6-(3,5-dimethoxy-4-pyridinyl)-1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]piperidin-2-one.
What is the SMILES notation for 6-(3,5-dimethoxy-4-pyridinyl)-1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]piperidin-2-one?
The canonical SMILES for 6-(3,5-dimethoxy-4-pyridinyl)-1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]piperidin-2-one is COc1cncc(OC)c1C1CCCC(=O)N1Cc1cccc(-c2csc(C)n2)c1.
What is the InChIKey of 6-(3,5-dimethoxy-4-pyridinyl)-1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]piperidin-2-one?
The InChIKey is WQXMHQDZFSMJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S/c1-15-25-18(14-30-15)17-7-4-6-16(10-17)13-26-19(8-5-9-22(26)27)23-20(28-2)11-24-12-21(23)29-3/h4,6-7,10-12,14,19H,5,8-9,13H2,1-3H3.
What are the key properties of 6-(3,5-dimethoxy-4-pyridinyl)-1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]piperidin-2-one?
6-(3,5-dimethoxy-4-pyridinyl)-1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]piperidin-2-one has a molecular weight of 423.54 g/mol, XLogP of 4.78, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethoxy-4-pyridinyl)-1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]piperidin-2-one is sourced from PubChem (CID 69081780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).