TL;DR: 1-Piperazineacetamide, N-((10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-yl)methyl)-4-methyl-, dihydrochloride (CAS 117125-50-5) is a chemical compound with molecular formula C23H31Cl2N3O and molecular weight 435.18442 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-methylpiperazin-1-yl)-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)acetamide;dihydrochloride
Also Known As: 1-Piperazineacetamide, N-((10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-yl)methyl)-4-methyl-, dihydrochloride, N-[(10,11-Dihydro-5H-dibenzo[a,d][7]annulen-5-yl)methyl]-2-(4-methylpiperazin-1-yl)acetamide--hydrogen chloride (1/2)
| Molecular Formula | C23H31Cl2N3O |
| Molecular Weight | 435.18442 g/mol |
| XLogP | 3.1243 |
| Topological Polar Surface Area (TPSA) | 35.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 435.18442 Da |
| Heavy Atoms | 29 |
| Complexity | 464.0 |
| SMILES | CN1CCN(CC1)CC(=O)NCC2C3=CC=CC=C3CCC4=CC=CC=C24.Cl.Cl |
| InChIKey | VTICFKOBXWACHK-UHFFFAOYSA-N |
The XLogP value of 3.1243 indicates that 1-Piperazineacetamide, N-((10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-yl)methyl)-4-methyl-, dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.6 Ų, 1-Piperazineacetamide, N-((10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-yl)methyl)-4-methyl-, dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Piperazineacetamide, N-((10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-yl)methyl)-4-methyl-, dihydrochloride has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-Piperazineacetamide, N-((10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-yl)methyl)-4-methyl-, dihydrochloride is 117125-50-5.
The molecular formula of 1-Piperazineacetamide, N-((10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-yl)methyl)-4-methyl-, dihydrochloride is C23H31Cl2N3O.
The molecular weight of 1-Piperazineacetamide, N-((10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-yl)methyl)-4-methyl-, dihydrochloride is 435.18442 g/mol.
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