TL;DR: N-[3-(6-methyl-3-pyridyl)acryloyl]-4-(4-diphenylmethyl-1-piperazinyl)butylamine (CAS 118420-47-6) is a chemical compound with molecular formula C30H36N4O and molecular weight 468.2889 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[4-(4-benzhydrylpiperazin-1-yl)butyl]-3-(6-methyl-3-pyridinyl)prop-2-enamide
Also Known As: Tagorizine, AL 3264, N-[3-(6-methyl-3-pyridyl)acryloyl]-4-(4-diphenylmethyl-1-piperazinyl)butylamine
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C30H36N4O |
| Molecular Weight | 468.2889 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 48.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 468.2889 Da |
| Heavy Atoms | 35 |
| Complexity | 614.0 |
| SMILES | CC1=NC=C(C=C1)C=CC(=O)NCCCCN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4 |
| InChIKey | DVYCNKDRINREMB-UHFFFAOYSA-N |
The XLogP value of 4.7 indicates that N-[3-(6-methyl-3-pyridyl)acryloyl]-4-(4-diphenylmethyl-1-piperazinyl)butylamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.5 Ų, N-[3-(6-methyl-3-pyridyl)acryloyl]-4-(4-diphenylmethyl-1-piperazinyl)butylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[3-(6-methyl-3-pyridyl)acryloyl]-4-(4-diphenylmethyl-1-piperazinyl)butylamine has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-[3-(6-methyl-3-pyridyl)acryloyl]-4-(4-diphenylmethyl-1-piperazinyl)butylamine is 118420-47-6.
The molecular formula of N-[3-(6-methyl-3-pyridyl)acryloyl]-4-(4-diphenylmethyl-1-piperazinyl)butylamine is C30H36N4O.
The molecular weight of N-[3-(6-methyl-3-pyridyl)acryloyl]-4-(4-diphenylmethyl-1-piperazinyl)butylamine is 468.2889 g/mol.
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