3-hydroxy-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide

C22H28N2O2 — CID 71748858

IUPAC3-hydroxy-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
SMILESO=C(CCO)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C22H28N2O2/c25-18-14-22(26)24(20-9-5-2-6-10-20)21-12-16-23(17-13-21)15-11-19-7-3-1-4-8-19/h1-10,21,25H,11-18H2
InChIKeyBXGSQUNMZMHPKS-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.11
Rot. Bonds7

About 3-hydroxy-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide

3-hydroxy-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide (PubChem CID 71748858) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 3-hydroxy-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name3-hydroxy-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
PubChem CID71748858
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name3-hydroxy-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
SMILESO=C(CCO)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C22H28N2O2/c25-18-14-22(26)24(20-9-5-2-6-10-20)21-12-16-23(17-13-21)15-11-19-7-3-1-4-8-19/h1-10,21,25H,11-18H2
InChIKeyBXGSQUNMZMHPKS-UHFFFAOYSA-N
XLogP3.11
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide?
The IUPAC name of 3-hydroxy-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide (CID 71748858) is 3-hydroxy-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide.
What is the SMILES notation for 3-hydroxy-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide?
The canonical SMILES for 3-hydroxy-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide is O=C(CCO)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1.
What is the InChIKey of 3-hydroxy-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide?
The InChIKey is BXGSQUNMZMHPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c25-18-14-22(26)24(20-9-5-2-6-10-20)21-12-16-23(17-13-21)15-11-19-7-3-1-4-8-19/h1-10,21,25H,11-18H2.
What are the key properties of 3-hydroxy-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide?
3-hydroxy-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide has a molecular weight of 352.48 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 71748858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).