TL;DR: 1,4-Diethyl-N-phenylpiperazine-2-carboximidic acid--nitrous acid (1/2) (CAS 36371-21-8) is a chemical compound with molecular formula C15H25N5O5 and molecular weight 355.18558 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,4-diethyl-N-phenylpiperazine-2-carboxamide;nitrous acid
Also Known As: KST-1B3732, 2-Piperazinecarboxanilide, 1,4-diethyl-, dinitrate, 1,4-diethyl-n-phenylpiperazine-2-carboxamide ntrite(1:2), 2-Piperazinecarboxamide, 1,4-diethyl-N-phenyl-, dinitrate, 1,4-diethyl-N-phenylpiperazine-2-carboxamide; nitrous acid
| Molecular Formula | C15H25N5O5 |
| Molecular Weight | 355.18558 g/mol |
| XLogP | 1.94 |
| Topological Polar Surface Area (TPSA) | 135.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 355.18558 Da |
| Heavy Atoms | 25 |
| Complexity | 299.0 |
| SMILES | CCN1CCN(C(C1)C(=O)NC2=CC=CC=C2)CC.N(=O)O.N(=O)O |
| InChIKey | DPEHDUYRYHMVNX-UHFFFAOYSA-N |
The XLogP value of 1.94 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Diethyl-N-phenylpiperazine-2-carboximidic acid--nitrous acid (1/2). The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Diethyl-N-phenylpiperazine-2-carboximidic acid--nitrous acid (1/2). Following Lipinski's Rule of Five, 1,4-Diethyl-N-phenylpiperazine-2-carboximidic acid--nitrous acid (1/2) has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1,4-Diethyl-N-phenylpiperazine-2-carboximidic acid--nitrous acid (1/2) is 36371-21-8.
The molecular formula of 1,4-Diethyl-N-phenylpiperazine-2-carboximidic acid--nitrous acid (1/2) is C15H25N5O5.
The molecular weight of 1,4-Diethyl-N-phenylpiperazine-2-carboximidic acid--nitrous acid (1/2) is 355.18558 g/mol.
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