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

C20H27N3O3 — CID 59686459

IUPAC4-[(E)-2-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]ethenyl]benzamide
SMILESNC(=O)c1ccc(/C=C/C2CCN(C(=O)CN3CCOCC3)CC2)cc1
InChIInChI=1S/C20H27N3O3/c21-20(25)18-5-3-16(4-6-18)1-2-17-7-9-23(10-8-17)19(24)15-22-11-13-26-14-12-22/h1-6,17H,7-15H2,(H2,21,25)/b2-1+
InChIKeyFOJOQROIDHXVCH-OWOJBTEDSA-N
MW357.45 g/mol
LogP1.37
Rot. Bonds5

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

4-[(E)-2-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]ethenyl]benzamide (PubChem CID 59686459) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 4-[(E)-2-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]ethenyl]benzamide.

Molecular Properties

Compound Name4-[(E)-2-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]ethenyl]benzamide
PubChem CID59686459
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name4-[(E)-2-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]ethenyl]benzamide
SMILESNC(=O)c1ccc(/C=C/C2CCN(C(=O)CN3CCOCC3)CC2)cc1
InChIInChI=1S/C20H27N3O3/c21-20(25)18-5-3-16(4-6-18)1-2-17-7-9-23(10-8-17)19(24)15-22-11-13-26-14-12-22/h1-6,17H,7-15H2,(H2,21,25)/b2-1+
InChIKeyFOJOQROIDHXVCH-OWOJBTEDSA-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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Related Compounds

3-[(E)-2-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]ethenyl]benzamide
CID 59686453
1-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone;oxalic acid
CID 162336897
1-[4-[(E)-2-(4-methylphenyl)ethenyl]piperidin-1-yl]-2-(1,4-oxazepan-4-yl)ethanone;hydrochloride
CID 162334768
1-[4-[(E)-2-(3-bromophenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 59686398
1-[4-[(E)-2-(2,6-dimethylphenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 51003459
1-[4-[(E)-2-(2-bromophenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 59686441
1-[4-[(E)-2-(2-fluorophenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 59686471
1-[4-[(E)-2-(3-methoxyphenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 59686356
1-[4-[(E)-2-(2-fluorophenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone;oxalic acid
CID 162339607
4-[[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]methyl]benzamide
CID 34710306
1-[4-[(E)-2-(2-methylphenyl)ethenyl]piperidin-1-yl]-2-(1,4-oxazepan-4-yl)ethanone
CID 59686376
1-[4-[2-(4-chlorophenyl)ethenyl]piperidin-1-yl]-2-piperazin-1-ylethanone
CID 67512221

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]ethenyl]benzamide?
The IUPAC name of 4-[(E)-2-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]ethenyl]benzamide (CID 59686459) is 4-[(E)-2-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]ethenyl]benzamide.
What is the SMILES notation for 4-[(E)-2-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]ethenyl]benzamide?
The canonical SMILES for 4-[(E)-2-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]ethenyl]benzamide is NC(=O)c1ccc(/C=C/C2CCN(C(=O)CN3CCOCC3)CC2)cc1.
What is the InChIKey of 4-[(E)-2-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]ethenyl]benzamide?
The InChIKey is FOJOQROIDHXVCH-OWOJBTEDSA-N. The full InChI is InChI=1S/C20H27N3O3/c21-20(25)18-5-3-16(4-6-18)1-2-17-7-9-23(10-8-17)19(24)15-22-11-13-26-14-12-22/h1-6,17H,7-15H2,(H2,21,25)/b2-1+.
What are the key properties of 4-[(E)-2-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]ethenyl]benzamide?
4-[(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 4-[(E)-2-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]ethenyl]benzamide is sourced from PubChem (CID 59686459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).