TL;DR: N-[1-(2-Phenylethyl)-4-piperidinyl]thiopropionanilide (CAS 122861-38-5) is a chemical compound with molecular formula C22H28N2S and molecular weight 352.19733 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanethioamide
Also Known As: AE-641/30153052, N-[1-(2-Phenylethyl)-4-piperidinyl]thiopropionanilide, N-(1-phenethylpiperidin-4-yl)-N-phenylpropanethioamide, N-phenyl-N-[1-(2-phenylethyl)-4-piperidinyl]propanethioamide, N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanethioamide
| Molecular Formula | C22H28N2S |
| Molecular Weight | 352.19733 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 38.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 352.19733 Da |
| Heavy Atoms | 25 |
| Complexity | 391.0 |
| SMILES | CCC(=S)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3 |
| InChIKey | CNWANTXFMDITNZ-UHFFFAOYSA-N |
The XLogP value of 4.6 indicates that N-[1-(2-Phenylethyl)-4-piperidinyl]thiopropionanilide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.6 Ų, N-[1-(2-Phenylethyl)-4-piperidinyl]thiopropionanilide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[1-(2-Phenylethyl)-4-piperidinyl]thiopropionanilide has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-[1-(2-Phenylethyl)-4-piperidinyl]thiopropionanilide is 122861-38-5.
The molecular formula of N-[1-(2-Phenylethyl)-4-piperidinyl]thiopropionanilide is C22H28N2S.
The molecular weight of N-[1-(2-Phenylethyl)-4-piperidinyl]thiopropionanilide is 352.19733 g/mol.
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