913388-25-7
1-PIPERAZINECARBOXYLIC ACID, 4-(1H-INDOL-5-YLCARBONYL)-, 1,1-DIMETHYLETHYL ESTER
Name1-PIPERAZINECARBOXYLIC ACID, 4-(1H-INDOL-5-YLCARBONYL)-, 1,1-DIMETHYLETHYL ESTER
1Identification
【Name】
1-PIPERAZINECARBOXYLIC ACID, 4-(1H-INDOL-5-YLCARBONYL)-, 1,1-DIMETHYLETHYL ESTER
【CAS】
【MDL】
MFCD12200173
【English Synonyms】
【Formula】
C18 H23 N3 O3
【MolWeight】
329.398
【Inchi】
InChI=1S/C18H23N3O3/c1-18(2,3)24-17(23)21-10-8-20(9-11-21)16(22)14-4-5-15-13(12-14)6-7-19-15/h4-7,12,19H,8-11H2,1-3H3
【InChIKey】
InChIKey=UGVWVLDDENPESW-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)N1CCN(CC1)C(=O)c2ccc3c(c2)cc[nH]3
【MOL File】
1-PIPERAZINECARBOXYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-PIPERAZINECARBOXYLIC ACID, 4-(1H-INDOL-5-YLCARBONYL)-, 1,1-DIMETHYLETHYL ESTER.cml