1-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-(4-phenylphenyl)ethanone

C24H30N2O3 — CID 29149621

IUPAC1-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-(4-phenylphenyl)ethanone
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)N1CC[C@@H](N2CCC(O)CC2)[C@H](O)C1
InChIInChI=1S/C24H30N2O3/c27-21-10-13-25(14-11-21)22-12-15-26(17-23(22)28)24(29)16-18-6-8-20(9-7-18)19-4-2-1-3-5-19/h1-9,21-23,27-28H,10-17H2/t22-,23-/m1/s1
InChIKeyIYMAOJPAEOMKFL-DHIUTWEWSA-N
MW394.51 g/mol
LogP2.31
Rot. Bonds4

About 1-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-(4-phenylphenyl)ethanone

1-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-(4-phenylphenyl)ethanone (PubChem CID 29149621) has the molecular formula C24H30N2O3 and a molecular weight of 394.51 g/mol. Its IUPAC name is 1-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-(4-phenylphenyl)ethanone.

Molecular Properties

Compound Name1-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-(4-phenylphenyl)ethanone
PubChem CID29149621
Molecular FormulaC24H30N2O3
Molecular Weight394.51 g/mol
Exact Mass394.23
IUPAC Name1-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-(4-phenylphenyl)ethanone
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)N1CC[C@@H](N2CCC(O)CC2)[C@H](O)C1
InChIInChI=1S/C24H30N2O3/c27-21-10-13-25(14-11-21)22-12-15-26(17-23(22)28)24(29)16-18-6-8-20(9-7-18)19-4-2-1-3-5-19/h1-9,21-23,27-28H,10-17H2/t22-,23-/m1/s1
InChIKeyIYMAOJPAEOMKFL-DHIUTWEWSA-N
XLogP2.31
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.51
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3R,4R)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]-2-(4-phenylphenyl)ethanone
CID 133265703
1-[2-(4-phenylphenyl)acetyl]piperidine-3-carboxylic acid
CID 45429214
2-phenyl-1-[4-[(4-phenylphenyl)methyl]piperidin-1-yl]ethanone
CID 24720516
2-(4-hydroxyphenyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone
CID 79029330
2-(4-hydroxyphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone
CID 43393427
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(4-phenylphenyl)ethanone
CID 43009927
1-(4-methylsulfonylpiperidin-1-yl)-2-(4-phenylphenyl)ethanone
CID 90585167
2-(4-phenylphenyl)-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone
CID 90638326
1-[(4S)-4-(dimethylamino)azepan-1-yl]-2-(4-phenylphenyl)ethanone
CID 95724805
3-[(3R)-1-[2-(4-phenylphenyl)acetyl]piperidin-3-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 25452719
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(4-phenylphenyl)ethanone
CID 973340
1-[6,6-bis(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-(4-phenylphenyl)ethanone
CID 137341574

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-(4-phenylphenyl)ethanone?
The IUPAC name of 1-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-(4-phenylphenyl)ethanone (CID 29149621) is 1-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-(4-phenylphenyl)ethanone.
What is the SMILES notation for 1-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-(4-phenylphenyl)ethanone?
The canonical SMILES for 1-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-(4-phenylphenyl)ethanone is O=C(Cc1ccc(-c2ccccc2)cc1)N1CC[C@@H](N2CCC(O)CC2)[C@H](O)C1.
What is the InChIKey of 1-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-(4-phenylphenyl)ethanone?
The InChIKey is IYMAOJPAEOMKFL-DHIUTWEWSA-N. The full InChI is InChI=1S/C24H30N2O3/c27-21-10-13-25(14-11-21)22-12-15-26(17-23(22)28)24(29)16-18-6-8-20(9-7-18)19-4-2-1-3-5-19/h1-9,21-23,27-28H,10-17H2/t22-,23-/m1/s1.
What are the key properties of 1-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-(4-phenylphenyl)ethanone?
1-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-(4-phenylphenyl)ethanone has a molecular weight of 394.51 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-(4-phenylphenyl)ethanone is sourced from PubChem (CID 29149621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).