8-hydroxy-2-(4-methoxyphenyl)-2-azaspiro[4.5]decan-1-one

C16H21NO3 — CID 52911976

IUPAC8-hydroxy-2-(4-methoxyphenyl)-2-azaspiro[4.5]decan-1-one
SMILESCOc1ccc(N2CCC3(CCC(O)CC3)C2=O)cc1
InChIInChI=1S/C16H21NO3/c1-20-14-4-2-12(3-5-14)17-11-10-16(15(17)19)8-6-13(18)7-9-16/h2-5,13,18H,6-11H2,1H3
InChIKeyUXMYJPLDGPRYPP-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.35
Rot. Bonds2

About 8-hydroxy-2-(4-methoxyphenyl)-2-azaspiro[4.5]decan-1-one

8-hydroxy-2-(4-methoxyphenyl)-2-azaspiro[4.5]decan-1-one (PubChem CID 52911976) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 8-hydroxy-2-(4-methoxyphenyl)-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-hydroxy-2-(4-methoxyphenyl)-2-azaspiro[4.5]decan-1-one
PubChem CID52911976
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name8-hydroxy-2-(4-methoxyphenyl)-2-azaspiro[4.5]decan-1-one
SMILESCOc1ccc(N2CCC3(CCC(O)CC3)C2=O)cc1
InChIInChI=1S/C16H21NO3/c1-20-14-4-2-12(3-5-14)17-11-10-16(15(17)19)8-6-13(18)7-9-16/h2-5,13,18H,6-11H2,1H3
InChIKeyUXMYJPLDGPRYPP-UHFFFAOYSA-N
XLogP2.35
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-hydroxy-2-(4-propan-2-ylphenyl)-2-azaspiro[4.5]decan-1-one
CID 52911982
8-hydroxy-2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-2-azaspiro[4.5]decan-1-one
CID 58230115
2-(4-cyclopropylphenyl)-8-hydroxy-8-methyl-2-azaspiro[4.5]decan-1-one
CID 58230086
8-hydroxy-8-(methoxymethyl)-2-(4-propan-2-yloxyphenyl)-2-azaspiro[4.5]decan-1-one
CID 58230002
8-[(4-methoxyphenyl)methyl]-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one
CID 97449888
1,4-bis(4-methoxyphenyl)piperazine-2,5-dione
CID 585094
[1-(4-methoxyphenyl)-3-methyl-2-oxopyrrolidin-3-yl] benzoate
CID 130404562
(3S)-3-ethyl-1-(4-methoxyphenyl)-3-phenylpyrrolidin-2-one
CID 155071229
2-(4-fluorophenyl)-8-propan-2-yloxy-2-azaspiro[4.5]decan-1-one
CID 134556753
2-(4-bromo-2-methylphenyl)-8-hydroxy-2-azaspiro[4.5]decan-1-one
CID 67478832
2-(4-cyclopropylphenyl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylic acid
CID 123809634
2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-1-one
CID 141342179

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-2-(4-methoxyphenyl)-2-azaspiro[4.5]decan-1-one?
The IUPAC name of 8-hydroxy-2-(4-methoxyphenyl)-2-azaspiro[4.5]decan-1-one (CID 52911976) is 8-hydroxy-2-(4-methoxyphenyl)-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-hydroxy-2-(4-methoxyphenyl)-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for 8-hydroxy-2-(4-methoxyphenyl)-2-azaspiro[4.5]decan-1-one is COc1ccc(N2CCC3(CCC(O)CC3)C2=O)cc1.
What is the InChIKey of 8-hydroxy-2-(4-methoxyphenyl)-2-azaspiro[4.5]decan-1-one?
The InChIKey is UXMYJPLDGPRYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-20-14-4-2-12(3-5-14)17-11-10-16(15(17)19)8-6-13(18)7-9-16/h2-5,13,18H,6-11H2,1H3.
What are the key properties of 8-hydroxy-2-(4-methoxyphenyl)-2-azaspiro[4.5]decan-1-one?
8-hydroxy-2-(4-methoxyphenyl)-2-azaspiro[4.5]decan-1-one has a molecular weight of 275.35 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-2-(4-methoxyphenyl)-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 52911976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).