1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(4-phenylphenyl)ethanone

C21H23NO3 — CID 35436362

IUPAC1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(4-phenylphenyl)ethanone
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C21H23NO3/c23-20(22-12-10-21(11-13-22)24-14-15-25-21)16-17-6-8-19(9-7-17)18-4-2-1-3-5-18/h1-9H,10-16H2
InChIKeyQAMHFWMHBHMONK-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.26
Rot. Bonds3

About 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(4-phenylphenyl)ethanone

1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(4-phenylphenyl)ethanone (PubChem CID 35436362) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(4-phenylphenyl)ethanone.

Molecular Properties

Compound Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(4-phenylphenyl)ethanone
PubChem CID35436362
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(4-phenylphenyl)ethanone
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C21H23NO3/c23-20(22-12-10-21(11-13-22)24-14-15-25-21)16-17-6-8-19(9-7-17)18-4-2-1-3-5-18/h1-9H,10-16H2
InChIKeyQAMHFWMHBHMONK-UHFFFAOYSA-N
XLogP3.26
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Morpholino-2,2-diphenylethanone
CID 229280
4-(4-Biphenylylacetyl)morpholine
CID 2265867
8-(2-Phenylbutanoyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 2970422
8-(Mesitylcarbonyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 6464965
Ethyl 1-(biphenyl-4-ylacetyl)piperidine-4-carboxylate
CID 1153571
4-(4-Biphenylylacetyl)-2,6-dimethylmorpholine
CID 2961161
1-(2,6-Dimethylmorpholin-4-yl)-2,2-diphenylethanone
CID 2961610
8-(Phenylacetyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 12185731
1-(1,4-Dioxa-8-azaspiro[4.5]decan-8-yl)-2-(3-methylphenyl)ethanone
CID 6464395
1-(1,4-Dioxa-8-azaspiro[4.5]decan-8-yl)-3,3-diphenylpropan-1-one
CID 32303961
2-([1,1'-Biphenyl]-4-yl)-1-(4-methoxypiperidin-1-yl)ethanone
CID 49719213
[4-(2-Methoxyethoxy)piperidino](1-phenylcyclopropyl)methanone
CID 91918271

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(4-phenylphenyl)ethanone?
The IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(4-phenylphenyl)ethanone (CID 35436362) is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(4-phenylphenyl)ethanone.
What is the SMILES notation for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(4-phenylphenyl)ethanone?
The canonical SMILES for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(4-phenylphenyl)ethanone is O=C(Cc1ccc(-c2ccccc2)cc1)N1CCC2(CC1)OCCO2.
What is the InChIKey of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(4-phenylphenyl)ethanone?
The InChIKey is QAMHFWMHBHMONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3/c23-20(22-12-10-21(11-13-22)24-14-15-25-21)16-17-6-8-19(9-7-17)18-4-2-1-3-5-18/h1-9H,10-16H2.
What are the key properties of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(4-phenylphenyl)ethanone?
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(4-phenylphenyl)ethanone has a molecular weight of 337.42 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(4-phenylphenyl)ethanone is sourced from PubChem (CID 35436362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).