TL;DR: 1H-Pyrido(2,3-e)-1,4-diazepine-2,3,5(4H)-trione, 4-(1-piperidinylmethyl)- (CAS 101204-91-5) is a chemical compound with molecular formula C14H16N4O3 and molecular weight 288.12225 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(piperidin-1-ylmethyl)-1H-pyrido[2,3-e][1,4]diazepine-2,3,5-trione
Also Known As: 1H-Pyrido(2,3-e)-1,4-diazepine-2,3,5(4H)-trione, 4-(1-piperidinylmethyl)-, 4-(Piperidinomethyl)-2H-pyrido(2,3-e)-1,4-diazepine-2,3,5(1H,4H)-trione, 4-(piperidin-1-ylmethyl)-1H-pyrido[2,3-e][1,4]diazepine-2,3,5-trione, 4-[(Piperidin-1-yl)methyl]-1H-pyrido[2,3-e][1,4]diazepine-2,3,5(4H)-trione
| Molecular Formula | C14H16N4O3 |
| Molecular Weight | 288.12225 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 82.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 288.12225 Da |
| Heavy Atoms | 21 |
| Complexity | 448.0 |
| SMILES | C1CCN(CC1)CN2C(=O)C3=C(NC(=O)C2=O)N=CC=C3 |
| InChIKey | MPPZYEFAURIOGT-UHFFFAOYSA-N |
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrido(2,3-e)-1,4-diazepine-2,3,5(4H)-trione, 4-(1-piperidinylmethyl)-. The TPSA of 82.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Pyrido(2,3-e)-1,4-diazepine-2,3,5(4H)-trione, 4-(1-piperidinylmethyl)-. Following Lipinski's Rule of Five, 1H-Pyrido(2,3-e)-1,4-diazepine-2,3,5(4H)-trione, 4-(1-piperidinylmethyl)- has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1H-Pyrido(2,3-e)-1,4-diazepine-2,3,5(4H)-trione, 4-(1-piperidinylmethyl)- is 101204-91-5.
The molecular formula of 1H-Pyrido(2,3-e)-1,4-diazepine-2,3,5(4H)-trione, 4-(1-piperidinylmethyl)- is C14H16N4O3.
The molecular weight of 1H-Pyrido(2,3-e)-1,4-diazepine-2,3,5(4H)-trione, 4-(1-piperidinylmethyl)- is 288.12225 g/mol.
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