2-[4-[(2S)-2-hydroxy-2-phenylacetyl]piperazin-1-yl]-1-phenylpropan-1-one

C21H24N2O3 — CID 11473622

IUPAC2-[4-[(2S)-2-hydroxy-2-phenylacetyl]piperazin-1-yl]-1-phenylpropan-1-one
SMILESCC(C(=O)c1ccccc1)N1CCN(C(=O)[C@@H](O)c2ccccc2)CC1
InChIInChI=1S/C21H24N2O3/c1-16(19(24)17-8-4-2-5-9-17)22-12-14-23(15-13-22)21(26)20(25)18-10-6-3-7-11-18/h2-11,16,20,25H,12-15H2,1H3/t16?,20-/m0/s1
InChIKeyYTKODFMLGWONGJ-FZCLLLDFSA-N
MW352.43 g/mol
LogP2.14
Rot. Bonds5

About 2-[4-[(2S)-2-hydroxy-2-phenylacetyl]piperazin-1-yl]-1-phenylpropan-1-one

2-[4-[(2S)-2-hydroxy-2-phenylacetyl]piperazin-1-yl]-1-phenylpropan-1-one (PubChem CID 11473622) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 2-[4-[(2S)-2-hydroxy-2-phenylacetyl]piperazin-1-yl]-1-phenylpropan-1-one.

Molecular Properties

Compound Name2-[4-[(2S)-2-hydroxy-2-phenylacetyl]piperazin-1-yl]-1-phenylpropan-1-one
PubChem CID11473622
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name2-[4-[(2S)-2-hydroxy-2-phenylacetyl]piperazin-1-yl]-1-phenylpropan-1-one
SMILESCC(C(=O)c1ccccc1)N1CCN(C(=O)[C@@H](O)c2ccccc2)CC1
InChIInChI=1S/C21H24N2O3/c1-16(19(24)17-8-4-2-5-9-17)22-12-14-23(15-13-22)21(26)20(25)18-10-6-3-7-11-18/h2-11,16,20,25H,12-15H2,1H3/t16?,20-/m0/s1
InChIKeyYTKODFMLGWONGJ-FZCLLLDFSA-N
XLogP2.14
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-2-pyrrolidin-1-ylpropan-1-one;hydrochloride
CID 21114962
(2S)-2-hydroxy-2-phenyl-1-piperidin-1-ylethanone
CID 11257941
(2R)-2-hydroxy-2-phenyl-1-piperidin-1-ylethanone
CID 25233871
1-phenyl-2-thiomorpholin-4-ylpropan-1-one
CID 60863276
2-(4-fluorophenyl)-2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 134506544
2-hydroxy-1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-phenylethanone
CID 111539102
1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)propan-1-one
CID 103498907
2-(4-aminopiperidin-1-yl)-1-phenylpropan-1-one
CID 62031296
(2R)-2-phenyl-1-[4-[(2R)-2-phenylpropanoyl]piperazin-1-yl]propan-1-one
CID 94855656
2-[4-(2-amino-2-phenylacetyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 119898929
2-hydroxy-1,2-diphenylethanone
CID 159399559
(2R)-1,2-bis(4-phenylpiperazin-1-yl)propan-1-one
CID 9250288

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2S)-2-hydroxy-2-phenylacetyl]piperazin-1-yl]-1-phenylpropan-1-one?
The IUPAC name of 2-[4-[(2S)-2-hydroxy-2-phenylacetyl]piperazin-1-yl]-1-phenylpropan-1-one (CID 11473622) is 2-[4-[(2S)-2-hydroxy-2-phenylacetyl]piperazin-1-yl]-1-phenylpropan-1-one.
What is the SMILES notation for 2-[4-[(2S)-2-hydroxy-2-phenylacetyl]piperazin-1-yl]-1-phenylpropan-1-one?
The canonical SMILES for 2-[4-[(2S)-2-hydroxy-2-phenylacetyl]piperazin-1-yl]-1-phenylpropan-1-one is CC(C(=O)c1ccccc1)N1CCN(C(=O)[C@@H](O)c2ccccc2)CC1.
What is the InChIKey of 2-[4-[(2S)-2-hydroxy-2-phenylacetyl]piperazin-1-yl]-1-phenylpropan-1-one?
The InChIKey is YTKODFMLGWONGJ-FZCLLLDFSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-16(19(24)17-8-4-2-5-9-17)22-12-14-23(15-13-22)21(26)20(25)18-10-6-3-7-11-18/h2-11,16,20,25H,12-15H2,1H3/t16?,20-/m0/s1.
What are the key properties of 2-[4-[(2S)-2-hydroxy-2-phenylacetyl]piperazin-1-yl]-1-phenylpropan-1-one?
2-[4-[(2S)-2-hydroxy-2-phenylacetyl]piperazin-1-yl]-1-phenylpropan-1-one has a molecular weight of 352.43 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2S)-2-hydroxy-2-phenylacetyl]piperazin-1-yl]-1-phenylpropan-1-one is sourced from PubChem (CID 11473622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).