Basic information
- CAS
136817-01-1- Standard SMILES
CC(C)(C)Nc1cccnc1N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1- InChIKey
NAMXWLDRNCAMLB-UHFFFAOYSA-N- Molecular formula
- C22H27N5O
- Average molar mass
- 377.5 g/mol
- Monoisotopic mass
- 377.2215605
Names & identifiers
- Preferred name
- Piperazine, 1-(3-((1,1-dimethylethyl)amino)-2-pyridinyl)-4-(1H-indol-2-ylcarbonyl)-
- IUPAC
- [4-[3-(tert-butylamino)-2-pyridinyl]piperazin-1-yl]-(1H-indol-2-yl)methanone
Names & synonyms
Piperazine, 1-(3-((1,1-dimethylethyl)amino)-2-pyridinyl)-4-(1H-indol-2-ylcarbonyl)-136817-01-1DTXSID801599491-(Indolyl-2-carbonyl)-4-(3-((dimethylethyl)amino)-2-pyridyl)piperazine1-(Indolyl-2-carbonyl)-4-[3-[(dimethylethyl)amino]-2-pyridyl]piperazinePiperazine, 1-[3-[(1,1-dimethylethyl)amino]-2-pyridinyl]-4-(1H-indol-2-ylcarbonyl)-RefChem:372152DTXCID0082440CHEMBL7371[4-[3-(tert-butylamino)-2-pyridyl]piperazin-1-yl]-(1H-indol-2-yl)methanone{4-[3-(tert-Butylamino)pyridin-2-yl]piperazin-1-yl}(1H-indol-2-yl)methanone136819-06-2
Database identifiers
- CAS
136817-01-1- PubChem CID
- 453397
- DTXSID
DTXSID80159949- ChEMBL
CHEMBL7371
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 64.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 540
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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