Malonamic acid, 2-ethyl-N-(piperidinoacetyl)-2-(piperidinomethyl)-, ethyl ester
Basic information
- CAS
94763-82-3- Standard SMILES
CCOC(=O)C(CC)(CN1CCCCC1)C(=O)NC(=O)CN1CCCCC1- InChIKey
WROJVIAJQFEBOJ-UHFFFAOYSA-N- Molecular formula
- C20H35N3O4
- Average molar mass
- 381.5 g/mol
- Monoisotopic mass
- 381.26275661
Names & identifiers
- Preferred name
- Malonamic acid, 2-ethyl-N-(piperidinoacetyl)-2-(piperidinomethyl)-, ethyl ester
- IUPAC
- ethyl 2-[(2-piperidin-1-ylacetyl)carbamoyl]-2-(piperidin-1-ylmethyl)butanoate
Names & synonyms
Sch 3721BRN 133052994763-82-32-Ethyl-N-(piperidinoacetyl)-2-(piperidinomethyl)malonamic acid ethyl esterPiperidinoacetamide dell'etil-piperidinometil-malonato monoetilico [Italian]MALONAMIC ACID, 2-ETHYL-N-(PIPERIDINOACETYL)-2-(PIPERIDINOMETHYL)-, ETHYL ESTERPiperidinoacetamide dell'etil-piperidinometil-malonato monoetilicoRefChem:351819DTXSID00915322ETHYL2-[(2-PIPERIDIN-1-YLACETYL)CARBAMOYL]-2-(PIPERIDIN-1-YLMETHYL)BUTANOATEN-{2-(Ethoxycarbonyl)-2-[(piperidin-1-yl)methyl]butanoyl}(piperidin-1-yl)ethanimidic acidN-{2-(Ethoxycarbonyl)-2-[(piperidin-1-yl)methyl]butanoyl}-2-(piperidin-1-yl)ethanimidic acid
Database identifiers
- CAS
94763-82-3- PubChem CID
- 56803
- DTXSID
DTXSID00915322- Nikkaji
- J147.602E
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 79 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 513
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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