1,7-Bis(2-oxo-2-(1-piperidinyl)ethyl)-1,4,7,10-tetraazacyclododecane
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Basic information
- Standard SMILES
O=C(CN1CCNCCN(CC(=O)N2CCCCC2)CCNCC1)N1CCCCC1- InChIKey
QYURTXOCHABJSH-UHFFFAOYSA-N- Molecular formula
- C22H42N6O2
- Average molar mass
- 422.6 g/mol
- Monoisotopic mass
- 422.3369246
Names & identifiers
- Preferred name
- 1,7-Bis(2-oxo-2-(1-piperidinyl)ethyl)-1,4,7,10-tetraazacyclododecane
- IUPAC
- 2-[7-(2-oxo-2-piperidin-1-ylethyl)-1,4,7,10-tetrazacyclododec-1-yl]-1-piperidin-1-ylethanone
Names & synonyms
NSC696850CHEMBL1992603NSC-696850NCI60_0344901,7-Bis(2-oxo-2-(1-piperidinyl)ethyl)-1,4,7,10-tetraazacyclododecane2-[7-[2-oxo-2-(1-piperidyl)ethyl]-1,4,7,10-tetrazacyclododec-1-yl]-1-(1-piperidyl)ethanone
Database identifiers
- PubChem CID
- 393890
- ChEMBL
CHEMBL1992603
Properties
Computed structural propertiesFilling in
- XLogP
- 0
- Topological polar surface area
- 71.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 462
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Compound notes
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