1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-naphthalen-2-ylethanone

C21H25NO3 — CID 110156877

IUPAC1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-naphthalen-2-ylethanone
SMILESO=C(Cc1ccc2ccccc2c1)N1CCC2(CC1)OCCCC2O
InChIInChI=1S/C21H25NO3/c23-19-6-3-13-25-21(19)9-11-22(12-10-21)20(24)15-16-7-8-17-4-1-2-5-18(17)14-16/h1-2,4-5,7-8,14,19,23H,3,6,9-13,15H2
InChIKeyXCZCFXZSLAYADS-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.91
Rot. Bonds2

About 1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-naphthalen-2-ylethanone

1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-naphthalen-2-ylethanone (PubChem CID 110156877) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-naphthalen-2-ylethanone.

Molecular Properties

Compound Name1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-naphthalen-2-ylethanone
PubChem CID110156877
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-naphthalen-2-ylethanone
SMILESO=C(Cc1ccc2ccccc2c1)N1CCC2(CC1)OCCCC2O
InChIInChI=1S/C21H25NO3/c23-19-6-3-13-25-21(19)9-11-22(12-10-21)20(24)15-16-7-8-17-4-1-2-5-18(17)14-16/h1-2,4-5,7-8,14,19,23H,3,6,9-13,15H2
InChIKeyXCZCFXZSLAYADS-UHFFFAOYSA-N
XLogP2.91
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 124959970
1-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(4-methoxyphenyl)ethanone
CID 125024152
1-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(4-methoxyphenyl)ethanone
CID 125024153
1-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-naphthalen-2-ylethanone
CID 135096486
2-(5-acetylthiophen-3-yl)-1-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
CID 97188468
1-(4-acetylpiperazin-1-yl)-2-naphthalen-2-ylethanone
CID 51161828
1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-phenylprop-2-en-1-one
CID 171146932
1-(4-acetyl-1,4-diazepan-1-yl)-2-naphthalen-2-ylethanone
CID 134061666
2,3-dihydro-1H-inden-2-yl-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 126430965
1-(3-hydroxypiperidin-1-yl)-2-naphthalen-2-ylethanone
CID 43391540
2-(4-fluoro-2-methylphenyl)-1-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
CID 124998798
2-[benzyl(methyl)amino]-1-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
CID 97150357

Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-naphthalen-2-ylethanone?
The IUPAC name of 1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-naphthalen-2-ylethanone (CID 110156877) is 1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-naphthalen-2-ylethanone.
What is the SMILES notation for 1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-naphthalen-2-ylethanone?
The canonical SMILES for 1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-naphthalen-2-ylethanone is O=C(Cc1ccc2ccccc2c1)N1CCC2(CC1)OCCCC2O.
What is the InChIKey of 1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-naphthalen-2-ylethanone?
The InChIKey is XCZCFXZSLAYADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c23-19-6-3-13-25-21(19)9-11-22(12-10-21)20(24)15-16-7-8-17-4-1-2-5-18(17)14-16/h1-2,4-5,7-8,14,19,23H,3,6,9-13,15H2.
What are the key properties of 1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-naphthalen-2-ylethanone?
1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-naphthalen-2-ylethanone has a molecular weight of 339.44 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-naphthalen-2-ylethanone is sourced from PubChem (CID 110156877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).