1-(3-benzylmorpholin-4-yl)-5-phenylpent-4-en-1-one

C22H25NO2 — CID 123193193

IUPAC1-(3-benzylmorpholin-4-yl)-5-phenylpent-4-en-1-one
SMILESO=C(CCC=Cc1ccccc1)N1CCOCC1Cc1ccccc1
InChIInChI=1S/C22H25NO2/c24-22(14-8-7-11-19-9-3-1-4-10-19)23-15-16-25-18-21(23)17-20-12-5-2-6-13-20/h1-7,9-13,21H,8,14-18H2
InChIKeySZFZRMWPUQFYGO-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.95
Rot. Bonds6

About 1-(3-benzylmorpholin-4-yl)-5-phenylpent-4-en-1-one

1-(3-benzylmorpholin-4-yl)-5-phenylpent-4-en-1-one (PubChem CID 123193193) has the molecular formula C22H25NO2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 1-(3-benzylmorpholin-4-yl)-5-phenylpent-4-en-1-one.

Molecular Properties

Compound Name1-(3-benzylmorpholin-4-yl)-5-phenylpent-4-en-1-one
PubChem CID123193193
Molecular FormulaC22H25NO2
Molecular Weight335.45 g/mol
Exact Mass335.19
IUPAC Name1-(3-benzylmorpholin-4-yl)-5-phenylpent-4-en-1-one
SMILESO=C(CCC=Cc1ccccc1)N1CCOCC1Cc1ccccc1
InChIInChI=1S/C22H25NO2/c24-22(14-8-7-11-19-9-3-1-4-10-19)23-15-16-25-18-21(23)17-20-12-5-2-6-13-20/h1-7,9-13,21H,8,14-18H2
InChIKeySZFZRMWPUQFYGO-UHFFFAOYSA-N
XLogP3.95
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-benzylmorpholin-4-yl)-3-methylbutan-1-one
CID 110749916
1-[(3S)-3-benzylmorpholin-4-yl]prop-2-en-1-one
CID 14320533
ethyl 3-benzylmorpholine-4-carboxylate
CID 110749949
1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]butan-1-one
CID 102507909
1-[(2R)-2-benzylpiperidin-1-yl]-4-morpholin-4-ylbutane-1,4-dione
CID 97015300
3-benzyl-4-methylmorpholine;ethane
CID 168940239
4-[(3-benzylmorpholine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 122024428
1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-2-phenylethanone
CID 135240996
3-phenyl-1-(3-phenylmorpholin-4-yl)propan-1-one
CID 110728347
3-(3-benzylmorpholin-4-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980885
(3S)-3-benzyl-N-(4-nitrophenyl)morpholine-4-carboxamide
CID 99814447
benzyl (3R)-3-(aminomethyl)morpholine-4-carboxylate
CID 91666877

Frequently Asked Questions

What is the IUPAC name of 1-(3-benzylmorpholin-4-yl)-5-phenylpent-4-en-1-one?
The IUPAC name of 1-(3-benzylmorpholin-4-yl)-5-phenylpent-4-en-1-one (CID 123193193) is 1-(3-benzylmorpholin-4-yl)-5-phenylpent-4-en-1-one.
What is the SMILES notation for 1-(3-benzylmorpholin-4-yl)-5-phenylpent-4-en-1-one?
The canonical SMILES for 1-(3-benzylmorpholin-4-yl)-5-phenylpent-4-en-1-one is O=C(CCC=Cc1ccccc1)N1CCOCC1Cc1ccccc1.
What is the InChIKey of 1-(3-benzylmorpholin-4-yl)-5-phenylpent-4-en-1-one?
The InChIKey is SZFZRMWPUQFYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO2/c24-22(14-8-7-11-19-9-3-1-4-10-19)23-15-16-25-18-21(23)17-20-12-5-2-6-13-20/h1-7,9-13,21H,8,14-18H2.
What are the key properties of 1-(3-benzylmorpholin-4-yl)-5-phenylpent-4-en-1-one?
1-(3-benzylmorpholin-4-yl)-5-phenylpent-4-en-1-one has a molecular weight of 335.45 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-benzylmorpholin-4-yl)-5-phenylpent-4-en-1-one is sourced from PubChem (CID 123193193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).