4-(1-acetylpiperidin-4-yl)oxy-3-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide

C20H25N3O4S — CID 24816675

IUPAC4-(1-acetylpiperidin-4-yl)oxy-3-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
SMILESCOc1cc(C(=O)NCc2nc(C)cs2)ccc1OC1CCN(C(C)=O)CC1
InChIInChI=1S/C20H25N3O4S/c1-13-12-28-19(22-13)11-21-20(25)15-4-5-17(18(10-15)26-3)27-16-6-8-23(9-7-16)14(2)24/h4-5,10,12,16H,6-9,11H2,1-3H3,(H,21,25)
InChIKeyKLFOCSAWGYZVSX-UHFFFAOYSA-N
MW403.50 g/mol
LogP2.78
Rot. Bonds6

About 4-(1-acetylpiperidin-4-yl)oxy-3-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide

4-(1-acetylpiperidin-4-yl)oxy-3-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide (PubChem CID 24816675) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is 4-(1-acetylpiperidin-4-yl)oxy-3-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-(1-acetylpiperidin-4-yl)oxy-3-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
PubChem CID24816675
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC Name4-(1-acetylpiperidin-4-yl)oxy-3-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
SMILESCOc1cc(C(=O)NCc2nc(C)cs2)ccc1OC1CCN(C(C)=O)CC1
InChIInChI=1S/C20H25N3O4S/c1-13-12-28-19(22-13)11-21-20(25)15-4-5-17(18(10-15)26-3)27-16-6-8-23(9-7-16)14(2)24/h4-5,10,12,16H,6-9,11H2,1-3H3,(H,21,25)
InChIKeyKLFOCSAWGYZVSX-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(1-acetylpiperidin-4-yl)oxy-3-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(1-acetylpiperidin-4-yl)oxy-3-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide?
The IUPAC name of 4-(1-acetylpiperidin-4-yl)oxy-3-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide (CID 24816675) is 4-(1-acetylpiperidin-4-yl)oxy-3-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide.
What is the SMILES notation for 4-(1-acetylpiperidin-4-yl)oxy-3-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide?
The canonical SMILES for 4-(1-acetylpiperidin-4-yl)oxy-3-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide is COc1cc(C(=O)NCc2nc(C)cs2)ccc1OC1CCN(C(C)=O)CC1.
What is the InChIKey of 4-(1-acetylpiperidin-4-yl)oxy-3-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide?
The InChIKey is KLFOCSAWGYZVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-13-12-28-19(22-13)11-21-20(25)15-4-5-17(18(10-15)26-3)27-16-6-8-23(9-7-16)14(2)24/h4-5,10,12,16H,6-9,11H2,1-3H3,(H,21,25).
What are the key properties of 4-(1-acetylpiperidin-4-yl)oxy-3-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide?
4-(1-acetylpiperidin-4-yl)oxy-3-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide has a molecular weight of 403.50 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-acetylpiperidin-4-yl)oxy-3-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide is sourced from PubChem (CID 24816675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).