(2S)-3-(4-hydroxyphenyl)-2-phenyl-N-(2-piperidin-1-ylethyl)propanamide

C22H28N2O2 — CID 97445107

IUPAC(2S)-3-(4-hydroxyphenyl)-2-phenyl-N-(2-piperidin-1-ylethyl)propanamide
SMILESO=C(NCCN1CCCCC1)[C@@H](Cc1ccc(O)cc1)c1ccccc1
InChIInChI=1S/C22H28N2O2/c25-20-11-9-18(10-12-20)17-21(19-7-3-1-4-8-19)22(26)23-13-16-24-14-5-2-6-15-24/h1,3-4,7-12,21,25H,2,5-6,13-17H2,(H,23,26)/t21-/m0/s1
InChIKeyNGGADQAWXHMCRI-NRFANRHFSA-N
MW352.48 g/mol
LogP3.32
Rot. Bonds7

About (2S)-3-(4-hydroxyphenyl)-2-phenyl-N-(2-piperidin-1-ylethyl)propanamide

(2S)-3-(4-hydroxyphenyl)-2-phenyl-N-(2-piperidin-1-ylethyl)propanamide (PubChem CID 97445107) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is (2S)-3-(4-hydroxyphenyl)-2-phenyl-N-(2-piperidin-1-ylethyl)propanamide.

Molecular Properties

Compound Name(2S)-3-(4-hydroxyphenyl)-2-phenyl-N-(2-piperidin-1-ylethyl)propanamide
PubChem CID97445107
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name(2S)-3-(4-hydroxyphenyl)-2-phenyl-N-(2-piperidin-1-ylethyl)propanamide
SMILESO=C(NCCN1CCCCC1)[C@@H](Cc1ccc(O)cc1)c1ccccc1
InChIInChI=1S/C22H28N2O2/c25-20-11-9-18(10-12-20)17-21(19-7-3-1-4-8-19)22(26)23-13-16-24-14-5-2-6-15-24/h1,3-4,7-12,21,25H,2,5-6,13-17H2,(H,23,26)/t21-/m0/s1
InChIKeyNGGADQAWXHMCRI-NRFANRHFSA-N
XLogP3.32
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-phenyl-N-(2-piperidin-1-ylethyl)propanamide
CID 62878557
2-amino-3-(4-hydroxyphenyl)-N-(2-piperidin-1-ylethyl)propanamide
CID 76905886
2-amino-3-(4-hydroxyphenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 76893887
(2R)-2-[4-(2-methylpropyl)phenyl]-N-(2-piperidin-1-ylethyl)propanamide
CID 25019144
2-[4-(2-methylpropyl)phenyl]-N-(2-piperidin-1-ylethyl)propanamide
CID 71064255
2-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-3-phenylpropanamide
CID 110355487
N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-2-phenyl-3-pyridin-4-ylpropanamide
CID 110625276
2-phenyl-N-(piperidin-1-ylmethyl)butanamide
CID 117066964
N-[[3-[[[amino-(2-piperidin-1-ylethylcarbamoylamino)methylidene]amino]methyl]cyclohexyl]methyl]-2,3-diphenylpropanamide
CID 20755713
(2S)-N-[(4-tert-butylphenyl)methyl]-3-(4-hydroxyphenyl)-2-phenylpropanamide
CID 7381172
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-phenylpentanamide
CID 134014925
benzhydryl N-(2-piperidin-1-ylethyl)carbamate
CID 171986616

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(4-hydroxyphenyl)-2-phenyl-N-(2-piperidin-1-ylethyl)propanamide?
The IUPAC name of (2S)-3-(4-hydroxyphenyl)-2-phenyl-N-(2-piperidin-1-ylethyl)propanamide (CID 97445107) is (2S)-3-(4-hydroxyphenyl)-2-phenyl-N-(2-piperidin-1-ylethyl)propanamide.
What is the SMILES notation for (2S)-3-(4-hydroxyphenyl)-2-phenyl-N-(2-piperidin-1-ylethyl)propanamide?
The canonical SMILES for (2S)-3-(4-hydroxyphenyl)-2-phenyl-N-(2-piperidin-1-ylethyl)propanamide is O=C(NCCN1CCCCC1)[C@@H](Cc1ccc(O)cc1)c1ccccc1.
What is the InChIKey of (2S)-3-(4-hydroxyphenyl)-2-phenyl-N-(2-piperidin-1-ylethyl)propanamide?
The InChIKey is NGGADQAWXHMCRI-NRFANRHFSA-N. The full InChI is InChI=1S/C22H28N2O2/c25-20-11-9-18(10-12-20)17-21(19-7-3-1-4-8-19)22(26)23-13-16-24-14-5-2-6-15-24/h1,3-4,7-12,21,25H,2,5-6,13-17H2,(H,23,26)/t21-/m0/s1.
What are the key properties of (2S)-3-(4-hydroxyphenyl)-2-phenyl-N-(2-piperidin-1-ylethyl)propanamide?
(2S)-3-(4-hydroxyphenyl)-2-phenyl-N-(2-piperidin-1-ylethyl)propanamide has a molecular weight of 352.48 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(4-hydroxyphenyl)-2-phenyl-N-(2-piperidin-1-ylethyl)propanamide is sourced from PubChem (CID 97445107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).