4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide

C20H25N3O4S — CID 24791234

IUPAC4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide
SMILESCOCC(=O)N1CCC(Oc2ccc(C(=O)N(C)Cc3nccs3)cc2)CC1
InChIInChI=1S/C20H25N3O4S/c1-22(13-18-21-9-12-28-18)20(25)15-3-5-16(6-4-15)27-17-7-10-23(11-8-17)19(24)14-26-2/h3-6,9,12,17H,7-8,10-11,13-14H2,1-2H3
InChIKeyQHDWOGFFNPRSNN-UHFFFAOYSA-N
MW403.50 g/mol
LogP2.43
Rot. Bonds7

About 4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide

4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide (PubChem CID 24791234) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is 4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide
PubChem CID24791234
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC Name4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide
SMILESCOCC(=O)N1CCC(Oc2ccc(C(=O)N(C)Cc3nccs3)cc2)CC1
InChIInChI=1S/C20H25N3O4S/c1-22(13-18-21-9-12-28-18)20(25)15-3-5-16(6-4-15)27-17-7-10-23(11-8-17)19(24)14-26-2/h3-6,9,12,17H,7-8,10-11,13-14H2,1-2H3
InChIKeyQHDWOGFFNPRSNN-UHFFFAOYSA-N
XLogP2.43
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-methyl-N-(1,3-thiazol-2-ylmethyl)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-(2-methoxyacetyl)piperidin-4-yl]oxy-N-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide?
The IUPAC name of 4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide (CID 24791234) is 4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide?
The canonical SMILES for 4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide is COCC(=O)N1CCC(Oc2ccc(C(=O)N(C)Cc3nccs3)cc2)CC1.
What is the InChIKey of 4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide?
The InChIKey is QHDWOGFFNPRSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-22(13-18-21-9-12-28-18)20(25)15-3-5-16(6-4-15)27-17-7-10-23(11-8-17)19(24)14-26-2/h3-6,9,12,17H,7-8,10-11,13-14H2,1-2H3.
What are the key properties of 4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide?
4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide has a molecular weight of 403.50 g/mol, XLogP of 2.43, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide is sourced from PubChem (CID 24791234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).