3-oxa-9-azaspiro[5.5]undecan-9-yl-(2-phenoxyphenyl)methanone

C22H25NO3 — CID 91784088

IUPAC3-oxa-9-azaspiro[5.5]undecan-9-yl-(2-phenoxyphenyl)methanone
SMILESO=C(c1ccccc1Oc1ccccc1)N1CCC2(CCOCC2)CC1
InChIInChI=1S/C22H25NO3/c24-21(23-14-10-22(11-15-23)12-16-25-17-13-22)19-8-4-5-9-20(19)26-18-6-2-1-3-7-18/h1-9H,10-17H2
InChIKeyXEZLOABZCHFMIA-UHFFFAOYSA-N
MW351.45 g/mol
LogP4.51
Rot. Bonds3

About 3-oxa-9-azaspiro[5.5]undecan-9-yl-(2-phenoxyphenyl)methanone

3-oxa-9-azaspiro[5.5]undecan-9-yl-(2-phenoxyphenyl)methanone (PubChem CID 91784088) has the molecular formula C22H25NO3 and a molecular weight of 351.45 g/mol. Its IUPAC name is 3-oxa-9-azaspiro[5.5]undecan-9-yl-(2-phenoxyphenyl)methanone.

Molecular Properties

Compound Name3-oxa-9-azaspiro[5.5]undecan-9-yl-(2-phenoxyphenyl)methanone
PubChem CID91784088
Molecular FormulaC22H25NO3
Molecular Weight351.45 g/mol
Exact Mass351.18
IUPAC Name3-oxa-9-azaspiro[5.5]undecan-9-yl-(2-phenoxyphenyl)methanone
SMILESO=C(c1ccccc1Oc1ccccc1)N1CCC2(CCOCC2)CC1
InChIInChI=1S/C22H25NO3/c24-21(23-14-10-22(11-15-23)12-16-25-17-13-22)19-8-4-5-9-20(19)26-18-6-2-1-3-7-18/h1-9H,10-17H2
InChIKeyXEZLOABZCHFMIA-UHFFFAOYSA-N
XLogP4.51
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-phenoxyphenyl)-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylmethanone
CID 175091556
(4-aminopiperidin-1-yl)-(2-phenoxyphenyl)methanone
CID 119373846
[4-[(dimethylamino)methyl]-4-hydroxyazepan-1-yl]-(2-phenoxyphenyl)methanone
CID 70737813
(4-methylsulfonylpiperazin-1-yl)-(2-phenoxyphenyl)methanone
CID 51252114
(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-(2-phenoxyphenyl)methanone
CID 90537313
3-methyl-7-(2-phenoxybenzoyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 56886874
cyclopentyl-[4-(2-phenoxybenzoyl)piperazin-1-yl]methanone
CID 38390849
(3R)-3-hydroxy-1-(2-phenoxybenzoyl)piperidine-3-carboxamide
CID 129485563
(3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl)-(2-phenoxyphenyl)methanone
CID 70716556
ethyl 2-[2-(3-oxa-9-azaspiro[5.5]undecane-9-carbonyl)anilino]acetate
CID 56880435
(3-methoxyphenyl)-[4-(2-phenoxybenzoyl)piperazin-1-yl]methanone
CID 46546142
(2-phenoxyphenyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 18284551

Frequently Asked Questions

What is the IUPAC name of 3-oxa-9-azaspiro[5.5]undecan-9-yl-(2-phenoxyphenyl)methanone?
The IUPAC name of 3-oxa-9-azaspiro[5.5]undecan-9-yl-(2-phenoxyphenyl)methanone (CID 91784088) is 3-oxa-9-azaspiro[5.5]undecan-9-yl-(2-phenoxyphenyl)methanone.
What is the SMILES notation for 3-oxa-9-azaspiro[5.5]undecan-9-yl-(2-phenoxyphenyl)methanone?
The canonical SMILES for 3-oxa-9-azaspiro[5.5]undecan-9-yl-(2-phenoxyphenyl)methanone is O=C(c1ccccc1Oc1ccccc1)N1CCC2(CCOCC2)CC1.
What is the InChIKey of 3-oxa-9-azaspiro[5.5]undecan-9-yl-(2-phenoxyphenyl)methanone?
The InChIKey is XEZLOABZCHFMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO3/c24-21(23-14-10-22(11-15-23)12-16-25-17-13-22)19-8-4-5-9-20(19)26-18-6-2-1-3-7-18/h1-9H,10-17H2.
What are the key properties of 3-oxa-9-azaspiro[5.5]undecan-9-yl-(2-phenoxyphenyl)methanone?
3-oxa-9-azaspiro[5.5]undecan-9-yl-(2-phenoxyphenyl)methanone has a molecular weight of 351.45 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxa-9-azaspiro[5.5]undecan-9-yl-(2-phenoxyphenyl)methanone is sourced from PubChem (CID 91784088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).