4-(2-morpholin-4-ylethyl)-4-phenyl-1-oxaspiro[4.4]nonan-2-one

C20H27NO3 — CID 13431360

IUPAC4-(2-morpholin-4-ylethyl)-4-phenyl-1-oxaspiro[4.4]nonan-2-one
SMILESO=C1CC(CCN2CCOCC2)(c2ccccc2)C2(CCCC2)O1
InChIInChI=1S/C20H27NO3/c22-18-16-19(17-6-2-1-3-7-17,20(24-18)8-4-5-9-20)10-11-21-12-14-23-15-13-21/h1-3,6-7H,4-5,8-16H2
InChIKeyLYAFMEPSWXXUEX-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.91
Rot. Bonds4

About 4-(2-morpholin-4-ylethyl)-4-phenyl-1-oxaspiro[4.4]nonan-2-one

4-(2-morpholin-4-ylethyl)-4-phenyl-1-oxaspiro[4.4]nonan-2-one (PubChem CID 13431360) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is 4-(2-morpholin-4-ylethyl)-4-phenyl-1-oxaspiro[4.4]nonan-2-one.

Molecular Properties

Compound Name4-(2-morpholin-4-ylethyl)-4-phenyl-1-oxaspiro[4.4]nonan-2-one
PubChem CID13431360
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC Name4-(2-morpholin-4-ylethyl)-4-phenyl-1-oxaspiro[4.4]nonan-2-one
SMILESO=C1CC(CCN2CCOCC2)(c2ccccc2)C2(CCCC2)O1
InChIInChI=1S/C20H27NO3/c22-18-16-19(17-6-2-1-3-7-17,20(24-18)8-4-5-9-20)10-11-21-12-14-23-15-13-21/h1-3,6-7H,4-5,8-16H2
InChIKeyLYAFMEPSWXXUEX-UHFFFAOYSA-N
XLogP2.91
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-morpholin-4-ylethyl)-3-phenyl-1-benzofuran-2-one;hydrochloride
CID 138400584
N-(2-morpholin-4-ylethyl)-N-(1-phenylcyclopentyl)formamide
CID 53446292
5-benzylsulfanyl-4-hydroxy-2-(2-morpholin-4-ylethyl)-2-phenyl-3H-pyran-6-one
CID 54721715
3-(3-morpholin-4-ylpropyl)-3-phenyl-1-benzofuran-2-one;hydrochloride
CID 138400585
1-(2-morpholin-4-ylethyl)cyclopentane-1-carboxylic acid
CID 22660163
1-(2-morpholin-4-ylethyl)-3-(1-phenylcyclobutyl)urea
CID 113216911
2'-(2-morpholin-4-ylethyl)spiro[cyclopentane-1,4'-isoquinoline]-1',3'-dione
CID 22769302
(3S)-1-(2-morpholin-4-ylethyl)-6-oxo-N-[(1-phenylcyclohexyl)methyl]piperidine-3-carboxamide
CID 95195230
4-(2-morpholin-4-ylethyl)-2,3-dihydrochromene-4-carboxylic acid
CID 79423243
methane;4-(2-phenylethyl)morpholine
CID 143698819
10-(3-morpholin-4-ylpropyl)-1,8-diphenyl-12-oxa-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene
CID 14208769
4-[2-(2-methylspiro[1,4-dihydroisoquinoline-3,4'-piperidine]-1'-yl)ethyl]morpholine
CID 122657652

Frequently Asked Questions

What is the IUPAC name of 4-(2-morpholin-4-ylethyl)-4-phenyl-1-oxaspiro[4.4]nonan-2-one?
The IUPAC name of 4-(2-morpholin-4-ylethyl)-4-phenyl-1-oxaspiro[4.4]nonan-2-one (CID 13431360) is 4-(2-morpholin-4-ylethyl)-4-phenyl-1-oxaspiro[4.4]nonan-2-one.
What is the SMILES notation for 4-(2-morpholin-4-ylethyl)-4-phenyl-1-oxaspiro[4.4]nonan-2-one?
The canonical SMILES for 4-(2-morpholin-4-ylethyl)-4-phenyl-1-oxaspiro[4.4]nonan-2-one is O=C1CC(CCN2CCOCC2)(c2ccccc2)C2(CCCC2)O1.
What is the InChIKey of 4-(2-morpholin-4-ylethyl)-4-phenyl-1-oxaspiro[4.4]nonan-2-one?
The InChIKey is LYAFMEPSWXXUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3/c22-18-16-19(17-6-2-1-3-7-17,20(24-18)8-4-5-9-20)10-11-21-12-14-23-15-13-21/h1-3,6-7H,4-5,8-16H2.
What are the key properties of 4-(2-morpholin-4-ylethyl)-4-phenyl-1-oxaspiro[4.4]nonan-2-one?
4-(2-morpholin-4-ylethyl)-4-phenyl-1-oxaspiro[4.4]nonan-2-one has a molecular weight of 329.44 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-morpholin-4-ylethyl)-4-phenyl-1-oxaspiro[4.4]nonan-2-one is sourced from PubChem (CID 13431360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).