2-(6-hydroxy-2-phenyl-2-adamantyl)-1-(4-hydroxypiperidin-1-yl)ethanone

C23H31NO3 — CID 59337194

IUPAC2-(6-hydroxy-2-phenyl-2-adamantyl)-1-(4-hydroxypiperidin-1-yl)ethanone
SMILESO=C(CC1(c2ccccc2)C2CC3CC1CC(C2)C3O)N1CCC(O)CC1
InChIInChI=1S/C23H31NO3/c25-20-6-8-24(9-7-20)21(26)14-23(17-4-2-1-3-5-17)18-10-15-11-19(23)13-16(12-18)22(15)27/h1-5,15-16,18-20,22,25,27H,6-14H2
InChIKeyFJSWKKWFRYOUOU-UHFFFAOYSA-N
MW369.51 g/mol
LogP2.72
Rot. Bonds3

About 2-(6-hydroxy-2-phenyl-2-adamantyl)-1-(4-hydroxypiperidin-1-yl)ethanone

2-(6-hydroxy-2-phenyl-2-adamantyl)-1-(4-hydroxypiperidin-1-yl)ethanone (PubChem CID 59337194) has the molecular formula C23H31NO3 and a molecular weight of 369.51 g/mol. Its IUPAC name is 2-(6-hydroxy-2-phenyl-2-adamantyl)-1-(4-hydroxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(6-hydroxy-2-phenyl-2-adamantyl)-1-(4-hydroxypiperidin-1-yl)ethanone
PubChem CID59337194
Molecular FormulaC23H31NO3
Molecular Weight369.51 g/mol
Exact Mass369.23
IUPAC Name2-(6-hydroxy-2-phenyl-2-adamantyl)-1-(4-hydroxypiperidin-1-yl)ethanone
SMILESO=C(CC1(c2ccccc2)C2CC3CC1CC(C2)C3O)N1CCC(O)CC1
InChIInChI=1S/C23H31NO3/c25-20-6-8-24(9-7-20)21(26)14-23(17-4-2-1-3-5-17)18-10-15-11-19(23)13-16(12-18)22(15)27/h1-5,15-16,18-20,22,25,27H,6-14H2
InChIKeyFJSWKKWFRYOUOU-UHFFFAOYSA-N
XLogP2.72
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Bms-816336
CID 59336911
2-[(1R,3S,5R,7S)-2-[4-(4-Fluorophenyl)phenyl]-6-hydroxyadamantan-2-YL]-1-(3-hydroxyazetidin-1-YL)ethan-1-one
CID 131750120
2-(2-Benzyl-6-hydroxyadamantan-2-YL)-1-(3-hydroxyazetidin-1-YL)ethan-1-one
CID 59337183
2-[2-(4-Fluorophenyl)-2-adamantyl]-1-[3-(hydroxymethyl)azetidin-1-yl]ethanone
CID 24945565
2-[2-(4-Fluorophenyl)-5-methoxy-2-adamantyl]-1-(3-hydroxyazetidin-1-yl)ethanone
CID 24945801
2-[2-(4-Fluorophenyl)-6-hydroxy-2-adamantyl]-1-(3-hydroxyazetidin-1-yl)ethanone
CID 24744018
2-[2-(4-Fluorophenyl)-5-hydroxy-2-adamantyl]-1-(3-hydroxyazetidin-1-yl)ethanone
CID 24945724
1-(3-Hydroxyazetidin-1-yl)-2-[6-hydroxy-2-(4-methylphenyl)-2-adamantyl]ethanone
CID 59337133
2-[2-(3-Chlorophenyl)-6-hydroxy-2-adamantyl]-1-(3-hydroxyazetidin-1-yl)ethanone
CID 59337171
2-[2-(4-Fluorophenyl)-6-hydroxy-6-methyl-2-adamantyl]-1-(3-hydroxyazetidin-1-yl)ethanone
CID 59337189
2-[2-(4-Chlorophenyl)-6-hydroxy-2-adamantyl]-1-(3-hydroxyazetidin-1-yl)ethanone
CID 59337259
4-[6-Hydroxy-2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-2-adamantyl]benzonitrile
CID 70862278

Frequently Asked Questions

What is the IUPAC name of 2-(6-hydroxy-2-phenyl-2-adamantyl)-1-(4-hydroxypiperidin-1-yl)ethanone?
The IUPAC name of 2-(6-hydroxy-2-phenyl-2-adamantyl)-1-(4-hydroxypiperidin-1-yl)ethanone (CID 59337194) is 2-(6-hydroxy-2-phenyl-2-adamantyl)-1-(4-hydroxypiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(6-hydroxy-2-phenyl-2-adamantyl)-1-(4-hydroxypiperidin-1-yl)ethanone?
The canonical SMILES for 2-(6-hydroxy-2-phenyl-2-adamantyl)-1-(4-hydroxypiperidin-1-yl)ethanone is O=C(CC1(c2ccccc2)C2CC3CC1CC(C2)C3O)N1CCC(O)CC1.
What is the InChIKey of 2-(6-hydroxy-2-phenyl-2-adamantyl)-1-(4-hydroxypiperidin-1-yl)ethanone?
The InChIKey is FJSWKKWFRYOUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO3/c25-20-6-8-24(9-7-20)21(26)14-23(17-4-2-1-3-5-17)18-10-15-11-19(23)13-16(12-18)22(15)27/h1-5,15-16,18-20,22,25,27H,6-14H2.
What are the key properties of 2-(6-hydroxy-2-phenyl-2-adamantyl)-1-(4-hydroxypiperidin-1-yl)ethanone?
2-(6-hydroxy-2-phenyl-2-adamantyl)-1-(4-hydroxypiperidin-1-yl)ethanone has a molecular weight of 369.51 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-hydroxy-2-phenyl-2-adamantyl)-1-(4-hydroxypiperidin-1-yl)ethanone is sourced from PubChem (CID 59337194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).