Cas no 99357-33-2 (2-Piperazinecarboxamide,N-methyl-3,6-dioxo-)
99357-33-2 structure
Product Name:2-Piperazinecarboxamide,N-methyl-3,6-dioxo-
CAS No:99357-33-2
MF:C6H9N3O3
MW:171.153960943222
CID:802408
PubChem ID:53437738
Update Time:2025-04-19
2-Piperazinecarboxamide,N-methyl-3,6-dioxo- Chemical and Physical Properties
Names and Identifiers
-
- 2-Piperazinecarboxamide,N-methyl-3,6-dioxo-
- 2-Piperazinecarboxamide,N-methyl-3,6-dioxo-(6CI)
- N-methyl-3,6-dioxopiperazine-2-carboxamide
- DTXSID70701138
- 99357-33-2
-
- Inchi： 1S/C6H9N3O3/c1-7-5(11)4-6(12)8-2-3(10)9-4/h4H,2H2,1H3,(H,7,11)(H,8,12)(H,9,10)
- InChI Key： PSHNARPRUUVFHS-UHFFFAOYSA-N
- SMILES： O=C1C(C(NC)=O)NC(CN1)=O
Computed Properties
- Exact Mass: 171.064
- Monoisotopic Mass: 171.064
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 238
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 87.3A^2
- XLogP3: -1.2
2-Piperazinecarboxamide,N-methyl-3,6-dioxo- Related Literature
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Yingbo Li,Nada Mehio,Huizhou Liu,Sheng Dai Green Chem., 2015,17, 2981-2993
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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