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

C20H25N3O4S — CID 24793913

IUPAC4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
SMILESCOCC(=O)N1CCC(Oc2ccc(C(=O)NC(C)c3nccs3)cc2)CC1
InChIInChI=1S/C20H25N3O4S/c1-14(20-21-9-12-28-20)22-19(25)15-3-5-16(6-4-15)27-17-7-10-23(11-8-17)18(24)13-26-2/h3-6,9,12,14,17H,7-8,10-11,13H2,1-2H3,(H,22,25)
InChIKeyMFDYCJVXCCYLSV-UHFFFAOYSA-N
MW403.50 g/mol
LogP2.65
Rot. Bonds7

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

4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide (PubChem CID 24793913) 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-[1-(1,3-thiazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
PubChem CID24793913
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC Name4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
SMILESCOCC(=O)N1CCC(Oc2ccc(C(=O)NC(C)c3nccs3)cc2)CC1
InChIInChI=1S/C20H25N3O4S/c1-14(20-21-9-12-28-20)22-19(25)15-3-5-16(6-4-15)27-17-7-10-23(11-8-17)18(24)13-26-2/h3-6,9,12,14,17H,7-8,10-11,13H2,1-2H3,(H,22,25)
InChIKeyMFDYCJVXCCYLSV-UHFFFAOYSA-N
XLogP2.65
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide?
The IUPAC name of 4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide (CID 24793913) is 4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide?
The canonical SMILES for 4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide is COCC(=O)N1CCC(Oc2ccc(C(=O)NC(C)c3nccs3)cc2)CC1.
What is the InChIKey of 4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide?
The InChIKey is MFDYCJVXCCYLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-14(20-21-9-12-28-20)22-19(25)15-3-5-16(6-4-15)27-17-7-10-23(11-8-17)18(24)13-26-2/h3-6,9,12,14,17H,7-8,10-11,13H2,1-2H3,(H,22,25).
What are the key properties of 4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide?
4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide has a molecular weight of 403.50 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 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-[1-(1,3-thiazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 24793913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).