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

C20H25N3O4S — CID 24790194

IUPAC3-(1-acetylpiperidin-4-yl)oxy-4-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2csc(C)n2)cc1OC1CCN(C(C)=O)CC1
InChIInChI=1S/C20H25N3O4S/c1-13-22-16(12-28-13)11-21-20(25)15-4-5-18(26-3)19(10-15)27-17-6-8-23(9-7-17)14(2)24/h4-5,10,12,17H,6-9,11H2,1-3H3,(H,21,25)
InChIKeyNMUHVWSIRTXPOA-UHFFFAOYSA-N
MW403.50 g/mol
LogP2.78
Rot. Bonds6

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

3-(1-acetylpiperidin-4-yl)oxy-4-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide (PubChem CID 24790194) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is 3-(1-acetylpiperidin-4-yl)oxy-4-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name3-(1-acetylpiperidin-4-yl)oxy-4-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
PubChem CID24790194
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC Name3-(1-acetylpiperidin-4-yl)oxy-4-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2csc(C)n2)cc1OC1CCN(C(C)=O)CC1
InChIInChI=1S/C20H25N3O4S/c1-13-22-16(12-28-13)11-21-20(25)15-4-5-18(26-3)19(10-15)27-17-6-8-23(9-7-17)14(2)24/h4-5,10,12,17H,6-9,11H2,1-3H3,(H,21,25)
InChIKeyNMUHVWSIRTXPOA-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

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Frequently Asked Questions

What is the IUPAC name of 3-(1-acetylpiperidin-4-yl)oxy-4-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide?
The IUPAC name of 3-(1-acetylpiperidin-4-yl)oxy-4-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide (CID 24790194) is 3-(1-acetylpiperidin-4-yl)oxy-4-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide.
What is the SMILES notation for 3-(1-acetylpiperidin-4-yl)oxy-4-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide?
The canonical SMILES for 3-(1-acetylpiperidin-4-yl)oxy-4-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide is COc1ccc(C(=O)NCc2csc(C)n2)cc1OC1CCN(C(C)=O)CC1.
What is the InChIKey of 3-(1-acetylpiperidin-4-yl)oxy-4-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide?
The InChIKey is NMUHVWSIRTXPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-13-22-16(12-28-13)11-21-20(25)15-4-5-18(26-3)19(10-15)27-17-6-8-23(9-7-17)14(2)24/h4-5,10,12,17H,6-9,11H2,1-3H3,(H,21,25).
What are the key properties of 3-(1-acetylpiperidin-4-yl)oxy-4-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide?
3-(1-acetylpiperidin-4-yl)oxy-4-methoxy-N-[(2-methyl-1,3-thiazol-4-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 3-(1-acetylpiperidin-4-yl)oxy-4-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide is sourced from PubChem (CID 24790194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).