[4-(8-hydroxy-6-azaspiro[3.5]nonane-6-carbonyl)phenyl]-(3-hydroxyphenyl)methanone

C22H23NO4 — CID 167796437

IUPAC[4-(8-hydroxy-6-azaspiro[3.5]nonane-6-carbonyl)phenyl]-(3-hydroxyphenyl)methanone
SMILESO=C(c1ccc(C(=O)N2CC(O)CC3(CCC3)C2)cc1)c1cccc(O)c1
InChIInChI=1S/C22H23NO4/c24-18-4-1-3-17(11-18)20(26)15-5-7-16(8-6-15)21(27)23-13-19(25)12-22(14-23)9-2-10-22/h1,3-8,11,19,24-25H,2,9-10,12-14H2
InChIKeyUXABFTIRNAEUBW-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.00
Rot. Bonds3

About [4-(8-hydroxy-6-azaspiro[3.5]nonane-6-carbonyl)phenyl]-(3-hydroxyphenyl)methanone

[4-(8-hydroxy-6-azaspiro[3.5]nonane-6-carbonyl)phenyl]-(3-hydroxyphenyl)methanone (PubChem CID 167796437) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is [4-(8-hydroxy-6-azaspiro[3.5]nonane-6-carbonyl)phenyl]-(3-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[4-(8-hydroxy-6-azaspiro[3.5]nonane-6-carbonyl)phenyl]-(3-hydroxyphenyl)methanone
PubChem CID167796437
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Name[4-(8-hydroxy-6-azaspiro[3.5]nonane-6-carbonyl)phenyl]-(3-hydroxyphenyl)methanone
SMILESO=C(c1ccc(C(=O)N2CC(O)CC3(CCC3)C2)cc1)c1cccc(O)c1
InChIInChI=1S/C22H23NO4/c24-18-4-1-3-17(11-18)20(26)15-5-7-16(8-6-15)21(27)23-13-19(25)12-22(14-23)9-2-10-22/h1,3-8,11,19,24-25H,2,9-10,12-14H2
InChIKeyUXABFTIRNAEUBW-UHFFFAOYSA-N
XLogP3.00
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-hydroxy-2-(pyridine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]-(4-methylphenyl)methanone
CID 171913207
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(3-hydroxyphenyl)methanone
CID 79403646
3-[3-(4-hydroxy-2,9-diazaspiro[5.5]undecane-2-carbonyl)phenyl]chromen-2-one
CID 171909101
[(4R)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-(3-hydroxyphenyl)methanone
CID 97156118
[4-hydroxy-2-(oxan-4-yl)-2,9-diazaspiro[5.5]undecan-9-yl]-quinolin-6-ylmethanone
CID 171908847
1-[4-hydroxy-2-(pyridine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]-2-(3-methylphenyl)ethanone
CID 171912252
3-azabicyclo[3.1.0]hexan-3-yl-(3-hydroxyphenyl)methanone
CID 84582108
(3S)-8-(3-hydroxybenzoyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95861164
(4-hydroxy-4-methylpiperidin-1-yl)-(3-hydroxyphenyl)methanone
CID 81097779
(4-chlorophenyl)-[4-(3-hydroxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 108544821
1-[9-[6-(dimethylamino)pyridine-3-carbonyl]-4-hydroxy-2,9-diazaspiro[5.5]undecan-2-yl]ethanone
CID 171915691
[(3R,5S)-3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl]-(3-hydroxyphenyl)methanone
CID 97488632

Frequently Asked Questions

What is the IUPAC name of [4-(8-hydroxy-6-azaspiro[3.5]nonane-6-carbonyl)phenyl]-(3-hydroxyphenyl)methanone?
The IUPAC name of [4-(8-hydroxy-6-azaspiro[3.5]nonane-6-carbonyl)phenyl]-(3-hydroxyphenyl)methanone (CID 167796437) is [4-(8-hydroxy-6-azaspiro[3.5]nonane-6-carbonyl)phenyl]-(3-hydroxyphenyl)methanone.
What is the SMILES notation for [4-(8-hydroxy-6-azaspiro[3.5]nonane-6-carbonyl)phenyl]-(3-hydroxyphenyl)methanone?
The canonical SMILES for [4-(8-hydroxy-6-azaspiro[3.5]nonane-6-carbonyl)phenyl]-(3-hydroxyphenyl)methanone is O=C(c1ccc(C(=O)N2CC(O)CC3(CCC3)C2)cc1)c1cccc(O)c1.
What is the InChIKey of [4-(8-hydroxy-6-azaspiro[3.5]nonane-6-carbonyl)phenyl]-(3-hydroxyphenyl)methanone?
The InChIKey is UXABFTIRNAEUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4/c24-18-4-1-3-17(11-18)20(26)15-5-7-16(8-6-15)21(27)23-13-19(25)12-22(14-23)9-2-10-22/h1,3-8,11,19,24-25H,2,9-10,12-14H2.
What are the key properties of [4-(8-hydroxy-6-azaspiro[3.5]nonane-6-carbonyl)phenyl]-(3-hydroxyphenyl)methanone?
[4-(8-hydroxy-6-azaspiro[3.5]nonane-6-carbonyl)phenyl]-(3-hydroxyphenyl)methanone has a molecular weight of 365.43 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(8-hydroxy-6-azaspiro[3.5]nonane-6-carbonyl)phenyl]-(3-hydroxyphenyl)methanone is sourced from PubChem (CID 167796437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).