1338222-29-9 (((S)-Tert-Butyl 3-(morpholine-4-carboxamido)piperidine-1-carboxylate)

CAS号:
1338222-29-9
英文名称:
(S)-Tert-Butyl 3-(morpholine-4-carboxamido)piperidine-1-carboxylate
分子式:
C15H27N3O4
分子量:
313.392584085464

(S)-Tert-Butyl 3-(morpholine-4-carboxamido)piperidine-1-carboxylate(1338222-29-9)名称与标识符

名称

英文别名:
(S)-tert-Butyl 3-(morpholine-4-carboxamido)piperidine-1-carboxylate;(S)-tert-Butyl 3-[(morpholin-4-yl)carbonyl]aminolpiperidine-1-carboxylate;(S)-tert-Butyl 3-[(morpholin-4-yl)carbonyl]aminopiperidine-1-carboxylate;(S)-tert-Butyl 3-{[(morpholin-4-yl)carbonyl]amino}piperidine-1-carboxylate;TERT-BUTYL (3S)-3-(MORPHOLINE-4-CARBONYLAMINO)PIPERIDINE-1-CARBOXYLATE;

标识符

InChIKey:
ZQHZKNDDTPUHRE-LBPRGKRZSA-N
Inchi:
1S/C15H27N3O4/c1-15(2,3)22-14(20)18-6-4-5-12(11-18)16-13(19)17-7-9-21-10-8-17/h12H,4-11H2,1-3H3,(H,16,19)/t12-/m0/s1
SMILES:
O(C(C)(C)C)C(N1CCC[C@@H](C1)NC(N1CCOCC1)=O)=O

(S)-Tert-Butyl 3-(morpholine-4-carboxamido)piperidine-1-carboxylate(1338222-29-9)物化性质

计算特性

  • 氢键供体数量 : 1
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 3
  • 重原子数量 : 22
  • 复杂度 : 402
  • 疏水参数计算参考值(XlogP) : 0.6
  • 拓扑分子极性表面积 : 71.1