2-(6-hydroxy-2-phenyl-2-adamantyl)-1-[(3R)-3-hydroxypiperidin-1-yl]ethanone

C23H31NO3 — CID 59337101

IUPAC2-(6-hydroxy-2-phenyl-2-adamantyl)-1-[(3R)-3-hydroxypiperidin-1-yl]ethanone
SMILESO=C(CC1(c2ccccc2)C2CC3CC1CC(C2)C3O)N1CCC[C@@H](O)C1
InChIInChI=1S/C23H31NO3/c25-20-7-4-8-24(14-20)21(26)13-23(17-5-2-1-3-6-17)18-9-15-10-19(23)12-16(11-18)22(15)27/h1-3,5-6,15-16,18-20,22,25,27H,4,7-14H2/t15?,16?,18?,19?,20-,22?,23?/m1/s1
InChIKeyGSOMNFHYOZUZFU-ANQJAKNGSA-N
MW369.51 g/mol
LogP2.72
Rot. Bonds3

About 2-(6-hydroxy-2-phenyl-2-adamantyl)-1-[(3R)-3-hydroxypiperidin-1-yl]ethanone

2-(6-hydroxy-2-phenyl-2-adamantyl)-1-[(3R)-3-hydroxypiperidin-1-yl]ethanone (PubChem CID 59337101) 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-[(3R)-3-hydroxypiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(6-hydroxy-2-phenyl-2-adamantyl)-1-[(3R)-3-hydroxypiperidin-1-yl]ethanone
PubChem CID59337101
Molecular FormulaC23H31NO3
Molecular Weight369.51 g/mol
Exact Mass369.23
IUPAC Name2-(6-hydroxy-2-phenyl-2-adamantyl)-1-[(3R)-3-hydroxypiperidin-1-yl]ethanone
SMILESO=C(CC1(c2ccccc2)C2CC3CC1CC(C2)C3O)N1CCC[C@@H](O)C1
InChIInChI=1S/C23H31NO3/c25-20-7-4-8-24(14-20)21(26)13-23(17-5-2-1-3-6-17)18-9-15-10-19(23)12-16(11-18)22(15)27/h1-3,5-6,15-16,18-20,22,25,27H,4,7-14H2/t15?,16?,18?,19?,20-,22?,23?/m1/s1
InChIKeyGSOMNFHYOZUZFU-ANQJAKNGSA-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

2-(6-hydroxy-2-phenyl-2-adamantyl)-1-(4-hydroxypiperidin-1-yl)ethanone
CID 59337194
1-[4-(hydroxymethyl)piperidin-1-yl]-2-(6-hydroxy-2-phenyl-2-adamantyl)ethanone
CID 59337331
4-[6-hydroxy-2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-2-adamantyl]benzonitrile
CID 70862278
1-(3-hydroxypiperidin-1-yl)-2-(4-phenylcyclohexyl)ethanone
CID 111109085
1-(3-hydroxypiperidin-1-yl)-2-naphthalen-2-ylethanone
CID 43391540
1-[4-(4-chlorophenyl)piperidin-1-yl]-2-(6-methyl-2-phenyl-2-adamantyl)ethanone
CID 59336956
2-(6-methyl-2-phenyl-2-adamantyl)-1-[3-(2H-tetrazol-5-yl)azetidin-1-yl]ethanone
CID 59337341
4-amino-1-(3-hydroxypiperidin-1-yl)-4-phenylbutan-1-one
CID 55204912
2-(1-aminocyclopentyl)-1-(3-hydroxypiperidin-1-yl)ethanone
CID 64683579
9-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydrocarbazole-1-carboxylic acid
CID 10450923
[(3R)-3-hydroxypiperidin-1-yl]-(4-phenoxyphenyl)methanone
CID 51458046
3-(3-hydroxypiperidin-1-yl)-3-oxopropanoic acid
CID 62232255

Frequently Asked Questions

What is the IUPAC name of 2-(6-hydroxy-2-phenyl-2-adamantyl)-1-[(3R)-3-hydroxypiperidin-1-yl]ethanone?
The IUPAC name of 2-(6-hydroxy-2-phenyl-2-adamantyl)-1-[(3R)-3-hydroxypiperidin-1-yl]ethanone (CID 59337101) is 2-(6-hydroxy-2-phenyl-2-adamantyl)-1-[(3R)-3-hydroxypiperidin-1-yl]ethanone.
What is the SMILES notation for 2-(6-hydroxy-2-phenyl-2-adamantyl)-1-[(3R)-3-hydroxypiperidin-1-yl]ethanone?
The canonical SMILES for 2-(6-hydroxy-2-phenyl-2-adamantyl)-1-[(3R)-3-hydroxypiperidin-1-yl]ethanone is O=C(CC1(c2ccccc2)C2CC3CC1CC(C2)C3O)N1CCC[C@@H](O)C1.
What is the InChIKey of 2-(6-hydroxy-2-phenyl-2-adamantyl)-1-[(3R)-3-hydroxypiperidin-1-yl]ethanone?
The InChIKey is GSOMNFHYOZUZFU-ANQJAKNGSA-N. The full InChI is InChI=1S/C23H31NO3/c25-20-7-4-8-24(14-20)21(26)13-23(17-5-2-1-3-6-17)18-9-15-10-19(23)12-16(11-18)22(15)27/h1-3,5-6,15-16,18-20,22,25,27H,4,7-14H2/t15?,16?,18?,19?,20-,22?,23?/m1/s1.
What are the key properties of 2-(6-hydroxy-2-phenyl-2-adamantyl)-1-[(3R)-3-hydroxypiperidin-1-yl]ethanone?
2-(6-hydroxy-2-phenyl-2-adamantyl)-1-[(3R)-3-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-[(3R)-3-hydroxypiperidin-1-yl]ethanone is sourced from PubChem (CID 59337101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).