N-[1-[2-(4-hydroxyphenyl)ethyl]piperidin-4-yl]-N-phenylpropanamide

C22H28N2O2 — CID 25418903

IUPACN-[1-[2-(4-hydroxyphenyl)ethyl]piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1CCN(CCc2ccc(O)cc2)CC1
InChIInChI=1S/C22H28N2O2/c1-2-22(26)24(19-6-4-3-5-7-19)20-13-16-23(17-14-20)15-12-18-8-10-21(25)11-9-18/h3-11,20,25H,2,12-17H2,1H3
InChIKeyLCMFYINHURKMTB-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.84
Rot. Bonds6

About N-[1-[2-(4-hydroxyphenyl)ethyl]piperidin-4-yl]-N-phenylpropanamide

N-[1-[2-(4-hydroxyphenyl)ethyl]piperidin-4-yl]-N-phenylpropanamide (PubChem CID 25418903) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-[1-[2-(4-hydroxyphenyl)ethyl]piperidin-4-yl]-N-phenylpropanamide.

Molecular Properties

Compound NameN-[1-[2-(4-hydroxyphenyl)ethyl]piperidin-4-yl]-N-phenylpropanamide
PubChem CID25418903
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC NameN-[1-[2-(4-hydroxyphenyl)ethyl]piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1CCN(CCc2ccc(O)cc2)CC1
InChIInChI=1S/C22H28N2O2/c1-2-22(26)24(19-6-4-3-5-7-19)20-13-16-23(17-14-20)15-12-18-8-10-21(25)11-9-18/h3-11,20,25H,2,12-17H2,1H3
InChIKeyLCMFYINHURKMTB-UHFFFAOYSA-N
XLogP3.84
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 ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-hydroxyphenyl)ethyl]piperidin-4-yl]-N-phenylpropanamide?
The IUPAC name of N-[1-[2-(4-hydroxyphenyl)ethyl]piperidin-4-yl]-N-phenylpropanamide (CID 25418903) is N-[1-[2-(4-hydroxyphenyl)ethyl]piperidin-4-yl]-N-phenylpropanamide.
What is the SMILES notation for N-[1-[2-(4-hydroxyphenyl)ethyl]piperidin-4-yl]-N-phenylpropanamide?
The canonical SMILES for N-[1-[2-(4-hydroxyphenyl)ethyl]piperidin-4-yl]-N-phenylpropanamide is CCC(=O)N(c1ccccc1)C1CCN(CCc2ccc(O)cc2)CC1.
What is the InChIKey of N-[1-[2-(4-hydroxyphenyl)ethyl]piperidin-4-yl]-N-phenylpropanamide?
The InChIKey is LCMFYINHURKMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-2-22(26)24(19-6-4-3-5-7-19)20-13-16-23(17-14-20)15-12-18-8-10-21(25)11-9-18/h3-11,20,25H,2,12-17H2,1H3.
What are the key properties of N-[1-[2-(4-hydroxyphenyl)ethyl]piperidin-4-yl]-N-phenylpropanamide?
N-[1-[2-(4-hydroxyphenyl)ethyl]piperidin-4-yl]-N-phenylpropanamide has a molecular weight of 352.48 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-hydroxyphenyl)ethyl]piperidin-4-yl]-N-phenylpropanamide is sourced from PubChem (CID 25418903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).