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

C21H25N3O4 — CID 24790125

IUPAC3-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide
SMILESCOCC(=O)N1CCC(Oc2cccc(C(=O)NCc3ccccn3)c2)CC1
InChIInChI=1S/C21H25N3O4/c1-27-15-20(25)24-11-8-18(9-12-24)28-19-7-4-5-16(13-19)21(26)23-14-17-6-2-3-10-22-17/h2-7,10,13,18H,8-9,11-12,14-15H2,1H3,(H,23,26)
InChIKeyUWDYYRSITWTHQU-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.03
Rot. Bonds7

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

3-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 24790125) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is 3-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide
PubChem CID24790125
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Name3-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide
SMILESCOCC(=O)N1CCC(Oc2cccc(C(=O)NCc3ccccn3)c2)CC1
InChIInChI=1S/C21H25N3O4/c1-27-15-20(25)24-11-8-18(9-12-24)28-19-7-4-5-16(13-19)21(26)23-14-17-6-2-3-10-22-17/h2-7,10,13,18H,8-9,11-12,14-15H2,1H3,(H,23,26)
InChIKeyUWDYYRSITWTHQU-UHFFFAOYSA-N
XLogP2.03
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 3-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide (CID 24790125) is 3-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 3-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 3-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide is COCC(=O)N1CCC(Oc2cccc(C(=O)NCc3ccccn3)c2)CC1.
What is the InChIKey of 3-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is UWDYYRSITWTHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-27-15-20(25)24-11-8-18(9-12-24)28-19-7-4-5-16(13-19)21(26)23-14-17-6-2-3-10-22-17/h2-7,10,13,18H,8-9,11-12,14-15H2,1H3,(H,23,26).
What are the key properties of 3-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide?
3-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 383.45 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 24790125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).