3-[(E)-2-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]ethenyl]benzamide

C20H27N3O3 — CID 59686453

IUPAC3-[(E)-2-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]ethenyl]benzamide
SMILESNC(=O)c1cccc(/C=C/C2CCN(C(=O)CN3CCOCC3)CC2)c1
InChIInChI=1S/C20H27N3O3/c21-20(25)18-3-1-2-17(14-18)5-4-16-6-8-23(9-7-16)19(24)15-22-10-12-26-13-11-22/h1-5,14,16H,6-13,15H2,(H2,21,25)/b5-4+
InChIKeyHPTJEWGFKUPGEA-SNAWJCMRSA-N
MW357.45 g/mol
LogP1.37
Rot. Bonds5

About 3-[(E)-2-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]ethenyl]benzamide

3-[(E)-2-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]ethenyl]benzamide (PubChem CID 59686453) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 3-[(E)-2-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]ethenyl]benzamide.

Molecular Properties

Compound Name3-[(E)-2-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]ethenyl]benzamide
PubChem CID59686453
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name3-[(E)-2-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]ethenyl]benzamide
SMILESNC(=O)c1cccc(/C=C/C2CCN(C(=O)CN3CCOCC3)CC2)c1
InChIInChI=1S/C20H27N3O3/c21-20(25)18-3-1-2-17(14-18)5-4-16-6-8-23(9-7-16)19(24)15-22-10-12-26-13-11-22/h1-5,14,16H,6-13,15H2,(H2,21,25)/b5-4+
InChIKeyHPTJEWGFKUPGEA-SNAWJCMRSA-N
XLogP1.37
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]ethenyl]benzamide?
The IUPAC name of 3-[(E)-2-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]ethenyl]benzamide (CID 59686453) is 3-[(E)-2-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]ethenyl]benzamide.
What is the SMILES notation for 3-[(E)-2-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]ethenyl]benzamide?
The canonical SMILES for 3-[(E)-2-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]ethenyl]benzamide is NC(=O)c1cccc(/C=C/C2CCN(C(=O)CN3CCOCC3)CC2)c1.
What is the InChIKey of 3-[(E)-2-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]ethenyl]benzamide?
The InChIKey is HPTJEWGFKUPGEA-SNAWJCMRSA-N. The full InChI is InChI=1S/C20H27N3O3/c21-20(25)18-3-1-2-17(14-18)5-4-16-6-8-23(9-7-16)19(24)15-22-10-12-26-13-11-22/h1-5,14,16H,6-13,15H2,(H2,21,25)/b5-4+.
What are the key properties of 3-[(E)-2-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]ethenyl]benzamide?
3-[(E)-2-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]ethenyl]benzamide has a molecular weight of 357.45 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]ethenyl]benzamide is sourced from PubChem (CID 59686453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).