864293-75-4 (4-[[2-[[(1,1-dimethylethoxy)carbonyl]amino]ethyl]amino]-1-Piperidinecarboxylic acid phenylmethyl ester,Benzyl 4-(2-{(tert-Butoxy)carbonylamino}Ethyl)-aminopiperidine-1-carboxylate)

CAS号:
864293-75-4
中文名称:
4-[[2-[[(1,1-dimethylethoxy)carbonyl]amino]ethyl]amino]-1-Piperidinecarboxylic acid phenylmethyl ester
英文名称:
Benzyl 4-(2-{(tert-Butoxy)carbonylamino}Ethyl)-aminopiperidine-1-carboxylate
分子式:
C20H31N3O4
分子量:
377.477845430374

4-[[2-[[(1,1-dimethylethoxy)carbonyl]amino]ethyl]amino]-1-Piperidinecarboxylic acid phenylmethyl ester(864293-75-4)名称与标识符

名称

中文别名:
4-[[2-[[(1,1-二甲基乙氧基)羰基]氨基]乙基]氨基]-1-哌啶羧酸苯甲酯;
英文别名:
4-[[2-[[(1,1-dimethylethoxy)carbonyl]amino]ethyl]amino]-1-Piperidinecarboxylic acid phenylmethyl ester;Benzyl 4-[(2-{[(tert-butoxy)carbonyl]amino}ethyl)-amino]piperidine-1-carboxylate;benzyl 4-[(2-{[(tert-butoxy)carbonyl]amino}ethyl)amino]piperidine-1-carboxylate;Benzyl 4-((2-((tert-butoxycarbonyl)amino)ethyl)amino)piperidine-1-carboxylate;MMPPFABFCSYSQR-UHFFFAOYSA-N;4-(2-tert-Butoxycarbonylamino-ethylamino)-piperidine-1-carboxylic acid benzyl ester;

标识符

InChIKey:
MMPPFABFCSYSQR-UHFFFAOYSA-N
Inchi:
1S/C20H31N3O4/c1-20(2,3)27-18(24)22-12-11-21-17-9-13-23(14-10-17)19(25)26-15-16-7-5-4-6-8-16/h4-8,17,21H,9-15H2,1-3H3,(H,22,24)
SMILES:
O(CC1C=CC=CC=1)C(N1CCC(CC1)NCCNC(=O)OC(C)(C)C)=O

4-[[2-[[(1,1-dimethylethoxy)carbonyl]amino]ethyl]amino]-1-Piperidinecarboxylic acid phenylmethyl ester(864293-75-4)物化性质

计算特性

  • 氢键供体数量 : 2
  • 氢键受体数量 : 5
  • 可旋转化学键数量 : 9
  • 重原子数量 : 27
  • 复杂度 : 464
  • 拓扑分子极性表面积 : 79.9