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

C23H28N2O2 — CID 133265703

IUPAC1-[(3R,4R)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]-2-(4-phenylphenyl)ethanone
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)N1C[C@@H](O)[C@H](N2CCCCC2)C1
InChIInChI=1S/C23H28N2O2/c26-22-17-25(16-21(22)24-13-5-2-6-14-24)23(27)15-18-9-11-20(12-10-18)19-7-3-1-4-8-19/h1,3-4,7-12,21-22,26H,2,5-6,13-17H2/t21-,22-/m1/s1
InChIKeyXKWGCMQEAPWCIS-FGZHOGPDSA-N
MW364.49 g/mol
LogP2.95
Rot. Bonds4

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

1-[(3R,4R)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]-2-(4-phenylphenyl)ethanone (PubChem CID 133265703) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 1-[(3R,4R)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]-2-(4-phenylphenyl)ethanone.

Molecular Properties

Compound Name1-[(3R,4R)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]-2-(4-phenylphenyl)ethanone
PubChem CID133265703
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name1-[(3R,4R)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]-2-(4-phenylphenyl)ethanone
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)N1C[C@@H](O)[C@H](N2CCCCC2)C1
InChIInChI=1S/C23H28N2O2/c26-22-17-25(16-21(22)24-13-5-2-6-14-24)23(27)15-18-9-11-20(12-10-18)19-7-3-1-4-8-19/h1,3-4,7-12,21-22,26H,2,5-6,13-17H2/t21-,22-/m1/s1
InChIKeyXKWGCMQEAPWCIS-FGZHOGPDSA-N
XLogP2.95
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-(4-phenylphenyl)ethanone
CID 29149621
1-[(3S,4S)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 91792162
1-[2-(4-phenylphenyl)acetyl]piperidine-3-carboxylic acid
CID 45429214
1-[(3S,4S)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]-4-phenoxybutan-1-one
CID 91773834
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(4-phenylphenyl)ethanone
CID 43009927
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
1-[4-(azepan-1-yl)piperidin-1-yl]-2-phenylethanone
CID 1121449
3-[(3R)-1-[2-(4-phenylphenyl)acetyl]piperidin-3-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 25452719
1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]-2-(4-phenylphenyl)ethanone
CID 9207576
2-(2-chlorophenoxy)-1-[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]ethanone
CID 110108168
1-[3-(4-chlorophenyl)azepan-1-yl]-2-(4-phenylphenyl)ethanone
CID 121146584

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4R)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]-2-(4-phenylphenyl)ethanone?
The IUPAC name of 1-[(3R,4R)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]-2-(4-phenylphenyl)ethanone (CID 133265703) is 1-[(3R,4R)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]-2-(4-phenylphenyl)ethanone.
What is the SMILES notation for 1-[(3R,4R)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]-2-(4-phenylphenyl)ethanone?
The canonical SMILES for 1-[(3R,4R)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]-2-(4-phenylphenyl)ethanone is O=C(Cc1ccc(-c2ccccc2)cc1)N1C[C@@H](O)[C@H](N2CCCCC2)C1.
What is the InChIKey of 1-[(3R,4R)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]-2-(4-phenylphenyl)ethanone?
The InChIKey is XKWGCMQEAPWCIS-FGZHOGPDSA-N. The full InChI is InChI=1S/C23H28N2O2/c26-22-17-25(16-21(22)24-13-5-2-6-14-24)23(27)15-18-9-11-20(12-10-18)19-7-3-1-4-8-19/h1,3-4,7-12,21-22,26H,2,5-6,13-17H2/t21-,22-/m1/s1.
What are the key properties of 1-[(3R,4R)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]-2-(4-phenylphenyl)ethanone?
1-[(3R,4R)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]-2-(4-phenylphenyl)ethanone has a molecular weight of 364.49 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4R)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]-2-(4-phenylphenyl)ethanone is sourced from PubChem (CID 133265703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).