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

C22H28N2O2 — CID 10360675

IUPACN-[1-[(2R)-2-hydroxy-2-phenylethyl]piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1CCN(C[C@H](O)c2ccccc2)CC1
InChIInChI=1S/C22H28N2O2/c1-2-22(26)24(19-11-7-4-8-12-19)20-13-15-23(16-14-20)17-21(25)18-9-5-3-6-10-18/h3-12,20-21,25H,2,13-17H2,1H3/t21-/m0/s1
InChIKeyJEFVHLMGRUJLET-NRFANRHFSA-N
MW352.48 g/mol
LogP3.63
Rot. Bonds6

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

N-[1-[(2R)-2-hydroxy-2-phenylethyl]piperidin-4-yl]-N-phenylpropanamide (PubChem CID 10360675) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-[1-[(2R)-2-hydroxy-2-phenylethyl]piperidin-4-yl]-N-phenylpropanamide.

Molecular Properties

Compound NameN-[1-[(2R)-2-hydroxy-2-phenylethyl]piperidin-4-yl]-N-phenylpropanamide
PubChem CID10360675
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC NameN-[1-[(2R)-2-hydroxy-2-phenylethyl]piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1CCN(C[C@H](O)c2ccccc2)CC1
InChIInChI=1S/C22H28N2O2/c1-2-22(26)24(19-11-7-4-8-12-19)20-13-15-23(16-14-20)17-21(25)18-9-5-3-6-10-18/h3-12,20-21,25H,2,13-17H2,1H3/t21-/m0/s1
InChIKeyJEFVHLMGRUJLET-NRFANRHFSA-N
XLogP3.63
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2R)-2-hydroxy-2-phenylethyl]piperidin-4-yl]-N-phenylpropanamide?
The IUPAC name of N-[1-[(2R)-2-hydroxy-2-phenylethyl]piperidin-4-yl]-N-phenylpropanamide (CID 10360675) is N-[1-[(2R)-2-hydroxy-2-phenylethyl]piperidin-4-yl]-N-phenylpropanamide.
What is the SMILES notation for N-[1-[(2R)-2-hydroxy-2-phenylethyl]piperidin-4-yl]-N-phenylpropanamide?
The canonical SMILES for N-[1-[(2R)-2-hydroxy-2-phenylethyl]piperidin-4-yl]-N-phenylpropanamide is CCC(=O)N(c1ccccc1)C1CCN(C[C@H](O)c2ccccc2)CC1.
What is the InChIKey of N-[1-[(2R)-2-hydroxy-2-phenylethyl]piperidin-4-yl]-N-phenylpropanamide?
The InChIKey is JEFVHLMGRUJLET-NRFANRHFSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-2-22(26)24(19-11-7-4-8-12-19)20-13-15-23(16-14-20)17-21(25)18-9-5-3-6-10-18/h3-12,20-21,25H,2,13-17H2,1H3/t21-/m0/s1.
What are the key properties of N-[1-[(2R)-2-hydroxy-2-phenylethyl]piperidin-4-yl]-N-phenylpropanamide?
N-[1-[(2R)-2-hydroxy-2-phenylethyl]piperidin-4-yl]-N-phenylpropanamide has a molecular weight of 352.48 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2R)-2-hydroxy-2-phenylethyl]piperidin-4-yl]-N-phenylpropanamide is sourced from PubChem (CID 10360675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).