TL;DR: Piperazine, 1-(3-(diethylamino)-2-pyridinyl)-4-(1H-indol-2-ylcarbonyl)- (CAS 136816-78-9) is a chemical compound with molecular formula C22H27N5O and molecular weight 377.22156 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-[3-(diethylamino)-2-pyridinyl]piperazin-1-yl]-(1H-indol-2-yl)methanone
Also Known As: BHAP indolyl pyridyl deriv., Piperazine, 1-(3-(diethylamino)-2-pyridinyl)-4-(1H-indol-2-ylcarbonyl)-, 1-(Indolyl-2-carbonyl)-4-(3-(diethylamino)-2-pyridyl)piperazine, 1-(Indolyl-2-carbonyl)-4-[3-(diethylamino)-2-pyridyl]piperazine, (1H-Indol-2-yl)[4-[3-(diethylamino)-2-pyridinyl]piperazino] ketone
| Molecular Formula | C22H27N5O |
| Molecular Weight | 377.22156 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 55.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 377.22156 Da |
| Heavy Atoms | 28 |
| Complexity | 517.0 |
| SMILES | CCN(CC)C1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4N3 |
| InChIKey | ZAMVXPFADIPTSK-UHFFFAOYSA-N |
The XLogP value of 3.6 indicates that Piperazine, 1-(3-(diethylamino)-2-pyridinyl)-4-(1H-indol-2-ylcarbonyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.5 Ų, Piperazine, 1-(3-(diethylamino)-2-pyridinyl)-4-(1H-indol-2-ylcarbonyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Piperazine, 1-(3-(diethylamino)-2-pyridinyl)-4-(1H-indol-2-ylcarbonyl)- 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 Piperazine, 1-(3-(diethylamino)-2-pyridinyl)-4-(1H-indol-2-ylcarbonyl)- is 136816-78-9.
The molecular formula of Piperazine, 1-(3-(diethylamino)-2-pyridinyl)-4-(1H-indol-2-ylcarbonyl)- is C22H27N5O.
The molecular weight of Piperazine, 1-(3-(diethylamino)-2-pyridinyl)-4-(1H-indol-2-ylcarbonyl)- is 377.22156 g/mol.
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