TL;DR: 3,4-dimethyl-N-(4-methylpiperazin-1-yl)benzamide (CAS 541529-25-3) is a chemical compound with molecular formula C14H21N3O and molecular weight 247.16846 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,4-dimethyl-N-(4-methylpiperazin-1-yl)benzamide
Also Known As: 3,4-dimethyl-N-(4-methylpiperazin-1-yl)benzamide, 3,4-Dimethyl-N-(4-methyl-1-piperazinyl)benzamide, BENZAMIDE, 3,4-DIMETHYL-N-(4-METHYL-1-PIPERAZINYL)-, 2,5-Pyrrolidinedione,1-[(4-chloro-3-methylbenzoyl)oxy], Benzamide, 3,4-dimethyl-N-(4-methyl-1-piperazinyl)- (9CI)
| Molecular Formula | C14H21N3O |
| Molecular Weight | 247.16846 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 35.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 247.16846 Da |
| Heavy Atoms | 18 |
| Complexity | 287.0 |
| SMILES | CC1=C(C=C(C=C1)C(=O)NN2CCN(CC2)C)C |
| InChIKey | MFDDLAFDXLLGOR-UHFFFAOYSA-N |
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-dimethyl-N-(4-methylpiperazin-1-yl)benzamide. With a topological polar surface area (TPSA) of 35.6 Ų, 3,4-dimethyl-N-(4-methylpiperazin-1-yl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-dimethyl-N-(4-methylpiperazin-1-yl)benzamide has 1 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 3,4-dimethyl-N-(4-methylpiperazin-1-yl)benzamide is 541529-25-3.
The molecular formula of 3,4-dimethyl-N-(4-methylpiperazin-1-yl)benzamide is C14H21N3O.
The molecular weight of 3,4-dimethyl-N-(4-methylpiperazin-1-yl)benzamide is 247.16846 g/mol.
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