3,5-dimethoxy-N-[[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]benzamide

C20H25N3O4S — CID 24793154

IUPAC3,5-dimethoxy-N-[[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NCC2CCCN(C(=O)c3csc(C)n3)C2)c1
InChIInChI=1S/C20H25N3O4S/c1-13-22-18(12-28-13)20(25)23-6-4-5-14(11-23)10-21-19(24)15-7-16(26-2)9-17(8-15)27-3/h7-9,12,14H,4-6,10-11H2,1-3H3,(H,21,24)
InChIKeyVNTDXOHJALGRHI-UHFFFAOYSA-N
MW403.50 g/mol
LogP2.75
Rot. Bonds6

About 3,5-dimethoxy-N-[[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]benzamide

3,5-dimethoxy-N-[[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]benzamide (PubChem CID 24793154) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]benzamide
PubChem CID24793154
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC Name3,5-dimethoxy-N-[[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NCC2CCCN(C(=O)c3csc(C)n3)C2)c1
InChIInChI=1S/C20H25N3O4S/c1-13-22-18(12-28-13)20(25)23-6-4-5-14(11-23)10-21-19(24)15-7-16(26-2)9-17(8-15)27-3/h7-9,12,14H,4-6,10-11H2,1-3H3,(H,21,24)
InChIKeyVNTDXOHJALGRHI-UHFFFAOYSA-N
XLogP2.75
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]benzamide (CID 24793154) is 3,5-dimethoxy-N-[[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]benzamide is COc1cc(OC)cc(C(=O)NCC2CCCN(C(=O)c3csc(C)n3)C2)c1.
What is the InChIKey of 3,5-dimethoxy-N-[[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]benzamide?
The InChIKey is VNTDXOHJALGRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-13-22-18(12-28-13)20(25)23-6-4-5-14(11-23)10-21-19(24)15-7-16(26-2)9-17(8-15)27-3/h7-9,12,14H,4-6,10-11H2,1-3H3,(H,21,24).
What are the key properties of 3,5-dimethoxy-N-[[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]benzamide?
3,5-dimethoxy-N-[[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]benzamide has a molecular weight of 403.50 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]benzamide is sourced from PubChem (CID 24793154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).