1-(3-azaspiro[5.5]undecan-3-yl)-2-(3-hydroxyphenyl)ethanone

C18H25NO2 — CID 62865664

IUPAC1-(3-azaspiro[5.5]undecan-3-yl)-2-(3-hydroxyphenyl)ethanone
SMILESO=C(Cc1cccc(O)c1)N1CCC2(CCCCC2)CC1
InChIInChI=1S/C18H25NO2/c20-16-6-4-5-15(13-16)14-17(21)19-11-9-18(10-12-19)7-2-1-3-8-18/h4-6,13,20H,1-3,7-12,14H2
InChIKeyGDOYRKLTQWAZSY-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.51
Rot. Bonds2

About 1-(3-azaspiro[5.5]undecan-3-yl)-2-(3-hydroxyphenyl)ethanone

1-(3-azaspiro[5.5]undecan-3-yl)-2-(3-hydroxyphenyl)ethanone (PubChem CID 62865664) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 1-(3-azaspiro[5.5]undecan-3-yl)-2-(3-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name1-(3-azaspiro[5.5]undecan-3-yl)-2-(3-hydroxyphenyl)ethanone
PubChem CID62865664
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name1-(3-azaspiro[5.5]undecan-3-yl)-2-(3-hydroxyphenyl)ethanone
SMILESO=C(Cc1cccc(O)c1)N1CCC2(CCCCC2)CC1
InChIInChI=1S/C18H25NO2/c20-16-6-4-5-15(13-16)14-17(21)19-11-9-18(10-12-19)7-2-1-3-8-18/h4-6,13,20H,1-3,7-12,14H2
InChIKeyGDOYRKLTQWAZSY-UHFFFAOYSA-N
XLogP3.51
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-hydroxyphenyl)-1-(1-methyl-1,9-diazaspiro[4.6]undecan-9-yl)ethanone
CID 131679295
2-(3-hydroxyphenyl)-1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethanone
CID 146087611
4-[2-(3-hydroxyphenyl)acetyl]piperazine-1-sulfonamide
CID 61399968
2-(3-hydroxyphenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 61399745
3-ethyl-1-[2-(3-hydroxyphenyl)acetyl]pyrrolidine-3-carboxylic acid
CID 63145264
1-[(4S)-4-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]azepan-1-yl]-2-(3-hydroxyphenyl)ethanone
CID 125026140
4-[2-(3-hydroxyphenyl)acetyl]piperazine-2,6-dione
CID 66085297
1-[4-(bromomethyl)piperidin-1-yl]-2-(3-hydroxyphenyl)ethanone
CID 80677823
2-(3-hydroxyphenyl)-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone
CID 62735027
2-(3-hydroxyphenyl)-1-(9-oxa-6-azaspiro[4.5]decan-6-yl)ethanone
CID 75518815
1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-2-phenylethanone
CID 59140032
1-[(3R)-3-aminopiperidin-1-yl]-2-(3-hydroxyphenyl)ethanone
CID 102983816

Frequently Asked Questions

What is the IUPAC name of 1-(3-azaspiro[5.5]undecan-3-yl)-2-(3-hydroxyphenyl)ethanone?
The IUPAC name of 1-(3-azaspiro[5.5]undecan-3-yl)-2-(3-hydroxyphenyl)ethanone (CID 62865664) is 1-(3-azaspiro[5.5]undecan-3-yl)-2-(3-hydroxyphenyl)ethanone.
What is the SMILES notation for 1-(3-azaspiro[5.5]undecan-3-yl)-2-(3-hydroxyphenyl)ethanone?
The canonical SMILES for 1-(3-azaspiro[5.5]undecan-3-yl)-2-(3-hydroxyphenyl)ethanone is O=C(Cc1cccc(O)c1)N1CCC2(CCCCC2)CC1.
What is the InChIKey of 1-(3-azaspiro[5.5]undecan-3-yl)-2-(3-hydroxyphenyl)ethanone?
The InChIKey is GDOYRKLTQWAZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c20-16-6-4-5-15(13-16)14-17(21)19-11-9-18(10-12-19)7-2-1-3-8-18/h4-6,13,20H,1-3,7-12,14H2.
What are the key properties of 1-(3-azaspiro[5.5]undecan-3-yl)-2-(3-hydroxyphenyl)ethanone?
1-(3-azaspiro[5.5]undecan-3-yl)-2-(3-hydroxyphenyl)ethanone has a molecular weight of 287.40 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-azaspiro[5.5]undecan-3-yl)-2-(3-hydroxyphenyl)ethanone is sourced from PubChem (CID 62865664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).