1-Piperazineacetic acid, 4-(2-(4-morpholinyl)-2-oxoethyl)-alpha-(2-oxo-2-phenylethyl)-
Basic information
- CAS
40513-12-0- Standard SMILES
O=C(CC(C(=O)O)N1CCN(CC(=O)N2CCOCC2)CC1)c1ccccc1- InChIKey
WTKBCMFTLFNBGR-UHFFFAOYSA-N- Molecular formula
- C20H27N3O5
- Average molar mass
- 389.4 g/mol
- Monoisotopic mass
- 389.19507097
Names & identifiers
- Preferred name
- 1-Piperazineacetic acid, 4-(2-(4-morpholinyl)-2-oxoethyl)-alpha-(2-oxo-2-phenylethyl)-
- IUPAC
- 2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-4-oxo-4-phenylbutanoic acid
Names & synonyms
40513-12-0alpha-(Morpholinocarbonylmethyl-4 piperazino-1) beta-benzoyl propionique acide [French]1-Piperazineacetic acid, 4-(2-(4-morpholinyl)-2-oxoethyl)-alpha-(2-oxo-2-phenylethyl)-4-(2-(4-Morpholinyl)-2-oxoethyl)-alpha-(2-oxo-2-phenylethyl)-1-piperazineacetic acidalpha-(Morpholinocarbonylmethyl-4 piperazino-1) beta-benzoyl propionique acideRefChem:2333782-{4-[2-(morpholin-4-yl)-2-oxoethyl]piperazin-1-yl}-4-oxo-4-phenylbutanoic acidDTXSID30960921
Database identifiers
- CAS
40513-12-0- PubChem CID
- 218358
- DTXSID
DTXSID30960921
Properties
Computed structural properties
- XLogP
- -2.1
- Topological polar surface area
- 90.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 550
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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