(2S)-2-amino-3-(4-hydroxyphenyl)-1-[(2S)-2-(3-phenylphenyl)piperidin-1-yl]propan-1-one

C26H28N2O2 — CID 10476117

IUPAC(2S)-2-amino-3-(4-hydroxyphenyl)-1-[(2S)-2-(3-phenylphenyl)piperidin-1-yl]propan-1-one
SMILESN[C@@H](Cc1ccc(O)cc1)C(=O)N1CCCC[C@H]1c1cccc(-c2ccccc2)c1
InChIInChI=1S/C26H28N2O2/c27-24(17-19-12-14-23(29)15-13-19)26(30)28-16-5-4-11-25(28)22-10-6-9-21(18-22)20-7-2-1-3-8-20/h1-3,6-10,12-15,18,24-25,29H,4-5,11,16-17,27H2/t24-,25-/m0/s1
InChIKeyCVMCSYVSUAFHIY-DQEYMECFSA-N
MW400.52 g/mol
LogP4.68
Rot. Bonds5

About (2S)-2-amino-3-(4-hydroxyphenyl)-1-[(2S)-2-(3-phenylphenyl)piperidin-1-yl]propan-1-one

(2S)-2-amino-3-(4-hydroxyphenyl)-1-[(2S)-2-(3-phenylphenyl)piperidin-1-yl]propan-1-one (PubChem CID 10476117) has the molecular formula C26H28N2O2 and a molecular weight of 400.52 g/mol. Its IUPAC name is (2S)-2-amino-3-(4-hydroxyphenyl)-1-[(2S)-2-(3-phenylphenyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-3-(4-hydroxyphenyl)-1-[(2S)-2-(3-phenylphenyl)piperidin-1-yl]propan-1-one
PubChem CID10476117
Molecular FormulaC26H28N2O2
Molecular Weight400.52 g/mol
Exact Mass400.22
IUPAC Name(2S)-2-amino-3-(4-hydroxyphenyl)-1-[(2S)-2-(3-phenylphenyl)piperidin-1-yl]propan-1-one
SMILESN[C@@H](Cc1ccc(O)cc1)C(=O)N1CCCC[C@H]1c1cccc(-c2ccccc2)c1
InChIInChI=1S/C26H28N2O2/c27-24(17-19-12-14-23(29)15-13-19)26(30)28-16-5-4-11-25(28)22-10-6-9-21(18-22)20-7-2-1-3-8-20/h1-3,6-10,12-15,18,24-25,29H,4-5,11,16-17,27H2/t24-,25-/m0/s1
InChIKeyCVMCSYVSUAFHIY-DQEYMECFSA-N
XLogP4.68
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-(4-hydroxyphenyl)-1-[2-(5-phenyl-1,3-oxazol-2-yl)piperidin-1-yl]propan-1-one
CID 58631261
2-amino-3-(4-hydroxyphenyl)-1-(2-methylazepan-1-yl)propan-1-one
CID 77020980
1-[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 103868722
2-amino-3-(4-chlorophenyl)-1-[4-(3-phenylphenyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 69237841
2-amino-3-(4-propylphenyl)-1-(2-pyridin-3-ylpiperidin-1-yl)propan-1-one
CID 177166738
(2S)-2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-(4-hydroxyphenyl)propan-1-one
CID 61409766
3-amino-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanoic acid
CID 64897035
[2-(3-phenylphenyl)piperidin-1-yl]urea
CID 174486315
N-[1-oxo-3-phenyl-1-(2-phenylpiperidin-1-yl)propan-2-yl]benzamide
CID 155011720
(2S)-1-[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide
CID 94480252
(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-N-[(2R)-1-[(2R)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide
CID 10391976
2-amino-1-(2-azabicyclo[4.1.0]heptan-2-yl)-3-phenylpropan-1-one
CID 117045939

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(4-hydroxyphenyl)-1-[(2S)-2-(3-phenylphenyl)piperidin-1-yl]propan-1-one?
The IUPAC name of (2S)-2-amino-3-(4-hydroxyphenyl)-1-[(2S)-2-(3-phenylphenyl)piperidin-1-yl]propan-1-one (CID 10476117) is (2S)-2-amino-3-(4-hydroxyphenyl)-1-[(2S)-2-(3-phenylphenyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for (2S)-2-amino-3-(4-hydroxyphenyl)-1-[(2S)-2-(3-phenylphenyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for (2S)-2-amino-3-(4-hydroxyphenyl)-1-[(2S)-2-(3-phenylphenyl)piperidin-1-yl]propan-1-one is N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCCC[C@H]1c1cccc(-c2ccccc2)c1.
What is the InChIKey of (2S)-2-amino-3-(4-hydroxyphenyl)-1-[(2S)-2-(3-phenylphenyl)piperidin-1-yl]propan-1-one?
The InChIKey is CVMCSYVSUAFHIY-DQEYMECFSA-N. The full InChI is InChI=1S/C26H28N2O2/c27-24(17-19-12-14-23(29)15-13-19)26(30)28-16-5-4-11-25(28)22-10-6-9-21(18-22)20-7-2-1-3-8-20/h1-3,6-10,12-15,18,24-25,29H,4-5,11,16-17,27H2/t24-,25-/m0/s1.
What are the key properties of (2S)-2-amino-3-(4-hydroxyphenyl)-1-[(2S)-2-(3-phenylphenyl)piperidin-1-yl]propan-1-one?
(2S)-2-amino-3-(4-hydroxyphenyl)-1-[(2S)-2-(3-phenylphenyl)piperidin-1-yl]propan-1-one has a molecular weight of 400.52 g/mol, XLogP of 4.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(4-hydroxyphenyl)-1-[(2S)-2-(3-phenylphenyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 10476117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).