3-[(3R,4R)-4-hydroxy-1-(2-phenylethyl)piperidin-3-yl]-N-phenylpropanamide

C22H28N2O2 — CID 124841956

IUPAC3-[(3R,4R)-4-hydroxy-1-(2-phenylethyl)piperidin-3-yl]-N-phenylpropanamide
SMILESO=C(CC[C@@H]1CN(CCc2ccccc2)CC[C@H]1O)Nc1ccccc1
InChIInChI=1S/C22H28N2O2/c25-21-14-16-24(15-13-18-7-3-1-4-8-18)17-19(21)11-12-22(26)23-20-9-5-2-6-10-20/h1-10,19,21,25H,11-17H2,(H,23,26)/t19-,21-/m1/s1
InChIKeyBIVKWBDREYMZMR-TZIWHRDSSA-N
MW352.48 g/mol
LogP3.33
Rot. Bonds7

About 3-[(3R,4R)-4-hydroxy-1-(2-phenylethyl)piperidin-3-yl]-N-phenylpropanamide

3-[(3R,4R)-4-hydroxy-1-(2-phenylethyl)piperidin-3-yl]-N-phenylpropanamide (PubChem CID 124841956) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 3-[(3R,4R)-4-hydroxy-1-(2-phenylethyl)piperidin-3-yl]-N-phenylpropanamide.

Molecular Properties

Compound Name3-[(3R,4R)-4-hydroxy-1-(2-phenylethyl)piperidin-3-yl]-N-phenylpropanamide
PubChem CID124841956
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name3-[(3R,4R)-4-hydroxy-1-(2-phenylethyl)piperidin-3-yl]-N-phenylpropanamide
SMILESO=C(CC[C@@H]1CN(CCc2ccccc2)CC[C@H]1O)Nc1ccccc1
InChIInChI=1S/C22H28N2O2/c25-21-14-16-24(15-13-18-7-3-1-4-8-18)17-19(21)11-12-22(26)23-20-9-5-2-6-10-20/h1-10,19,21,25H,11-17H2,(H,23,26)/t19-,21-/m1/s1
InChIKeyBIVKWBDREYMZMR-TZIWHRDSSA-N
XLogP3.33
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-4-anilino-1-(2-phenylethyl)piperidin-3-yl]methanol
CID 166659178
3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-phenylpropanamide
CID 115647931
3-(3-hydroxyazetidin-1-yl)-N-phenylpropanamide
CID 63282500
3-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-phenylpropanamide
CID 81491276
N-(4-acetamidophenyl)-3-(4-benzylpiperidin-1-yl)propanamide
CID 109032583
1-(2-phenylethyl)piperidine-3,4-dicarboxylic acid
CID 115918716
(3S,4R)-4-hydroxy-1-(4-phenylbutyl)piperidine-3-carboxylic acid
CID 135107489
3-[(3S)-3-methylpiperidin-1-yl]-N-phenylpropanamide
CID 739976
N-[(3S,4R)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 167098946
N-cyclopropyl-2-[4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]acetamide
CID 56893950
3-[(3S,4R)-1-benzyl-4-pyrrolidin-1-ylpiperidin-3-yl]-N-(4-methoxyphenyl)propanamide
CID 126464264
N-(3-acetamidophenyl)-3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]propanamide
CID 118985887

Frequently Asked Questions

What is the IUPAC name of 3-[(3R,4R)-4-hydroxy-1-(2-phenylethyl)piperidin-3-yl]-N-phenylpropanamide?
The IUPAC name of 3-[(3R,4R)-4-hydroxy-1-(2-phenylethyl)piperidin-3-yl]-N-phenylpropanamide (CID 124841956) is 3-[(3R,4R)-4-hydroxy-1-(2-phenylethyl)piperidin-3-yl]-N-phenylpropanamide.
What is the SMILES notation for 3-[(3R,4R)-4-hydroxy-1-(2-phenylethyl)piperidin-3-yl]-N-phenylpropanamide?
The canonical SMILES for 3-[(3R,4R)-4-hydroxy-1-(2-phenylethyl)piperidin-3-yl]-N-phenylpropanamide is O=C(CC[C@@H]1CN(CCc2ccccc2)CC[C@H]1O)Nc1ccccc1.
What is the InChIKey of 3-[(3R,4R)-4-hydroxy-1-(2-phenylethyl)piperidin-3-yl]-N-phenylpropanamide?
The InChIKey is BIVKWBDREYMZMR-TZIWHRDSSA-N. The full InChI is InChI=1S/C22H28N2O2/c25-21-14-16-24(15-13-18-7-3-1-4-8-18)17-19(21)11-12-22(26)23-20-9-5-2-6-10-20/h1-10,19,21,25H,11-17H2,(H,23,26)/t19-,21-/m1/s1.
What are the key properties of 3-[(3R,4R)-4-hydroxy-1-(2-phenylethyl)piperidin-3-yl]-N-phenylpropanamide?
3-[(3R,4R)-4-hydroxy-1-(2-phenylethyl)piperidin-3-yl]-N-phenylpropanamide has a molecular weight of 352.48 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R,4R)-4-hydroxy-1-(2-phenylethyl)piperidin-3-yl]-N-phenylpropanamide is sourced from PubChem (CID 124841956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).