(9-hydroxy-3-azaspiro[5.5]undecan-3-yl)-(2-hydroxyphenyl)methanone

C17H23NO3 — CID 128591808

IUPAC(9-hydroxy-3-azaspiro[5.5]undecan-3-yl)-(2-hydroxyphenyl)methanone
SMILESO=C(c1ccccc1O)N1CCC2(CCC(O)CC2)CC1
InChIInChI=1S/C17H23NO3/c19-13-5-7-17(8-6-13)9-11-18(12-10-17)16(21)14-3-1-2-4-15(14)20/h1-4,13,19-20H,5-12H2
InChIKeyZFLPEMPCYJZCSO-UHFFFAOYSA-N
MW289.37 g/mol
LogP2.55
Rot. Bonds1

About (9-hydroxy-3-azaspiro[5.5]undecan-3-yl)-(2-hydroxyphenyl)methanone

(9-hydroxy-3-azaspiro[5.5]undecan-3-yl)-(2-hydroxyphenyl)methanone (PubChem CID 128591808) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is (9-hydroxy-3-azaspiro[5.5]undecan-3-yl)-(2-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(9-hydroxy-3-azaspiro[5.5]undecan-3-yl)-(2-hydroxyphenyl)methanone
PubChem CID128591808
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC Name(9-hydroxy-3-azaspiro[5.5]undecan-3-yl)-(2-hydroxyphenyl)methanone
SMILESO=C(c1ccccc1O)N1CCC2(CCC(O)CC2)CC1
InChIInChI=1S/C17H23NO3/c19-13-5-7-17(8-6-13)9-11-18(12-10-17)16(21)14-3-1-2-4-15(14)20/h1-4,13,19-20H,5-12H2
InChIKeyZFLPEMPCYJZCSO-UHFFFAOYSA-N
XLogP2.55
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

8-azaspiro[4.5]decan-8-yl-(2-hydroxyphenyl)methanone
CID 63161441
(5-chlorofuran-2-yl)-(9-hydroxy-3-azaspiro[5.5]undecan-3-yl)methanone
CID 128591781
1-(2-hydroxybenzoyl)-4-methylpiperidine-4-carbothioamide
CID 107161017
1-(2-hydroxybenzoyl)piperidin-4-one
CID 24689914
[4-(aminomethyl)piperidin-1-yl]-(2-hydroxyphenyl)methanone;hydrochloride
CID 166451635
[4-(2-bromobenzoyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 108534141
(2-hydroxyphenyl)-(3-methylpiperidin-1-yl)methanone
CID 43176525
3-[1-(2-hydroxybenzoyl)piperidin-4-yl]propanoic acid
CID 62216443
(2-ethylphenyl)-[3-[[(4-hydroxycyclohexyl)-methylamino]methyl]-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 131678760
[4-(2-hydroxybenzoyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone
CID 119294607
(3-amino-2-hydroxyphenyl)-(4-hydroxypiperidin-1-yl)methanone
CID 58736577
[4-(2-chloroethoxy)piperidin-1-yl]-(2-hydroxyphenyl)methanone
CID 82701460

Frequently Asked Questions

What is the IUPAC name of (9-hydroxy-3-azaspiro[5.5]undecan-3-yl)-(2-hydroxyphenyl)methanone?
The IUPAC name of (9-hydroxy-3-azaspiro[5.5]undecan-3-yl)-(2-hydroxyphenyl)methanone (CID 128591808) is (9-hydroxy-3-azaspiro[5.5]undecan-3-yl)-(2-hydroxyphenyl)methanone.
What is the SMILES notation for (9-hydroxy-3-azaspiro[5.5]undecan-3-yl)-(2-hydroxyphenyl)methanone?
The canonical SMILES for (9-hydroxy-3-azaspiro[5.5]undecan-3-yl)-(2-hydroxyphenyl)methanone is O=C(c1ccccc1O)N1CCC2(CCC(O)CC2)CC1.
What is the InChIKey of (9-hydroxy-3-azaspiro[5.5]undecan-3-yl)-(2-hydroxyphenyl)methanone?
The InChIKey is ZFLPEMPCYJZCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c19-13-5-7-17(8-6-13)9-11-18(12-10-17)16(21)14-3-1-2-4-15(14)20/h1-4,13,19-20H,5-12H2.
What are the key properties of (9-hydroxy-3-azaspiro[5.5]undecan-3-yl)-(2-hydroxyphenyl)methanone?
(9-hydroxy-3-azaspiro[5.5]undecan-3-yl)-(2-hydroxyphenyl)methanone has a molecular weight of 289.37 g/mol, XLogP of 2.55, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9-hydroxy-3-azaspiro[5.5]undecan-3-yl)-(2-hydroxyphenyl)methanone is sourced from PubChem (CID 128591808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).