Basic information
- CAS
94380-74-2- Standard SMILES
CCOC(=O)C(CC)(CN1CCCCC1)C(=O)NCN1CCCCC1- InChIKey
IHFKPQPFEYVEIQ-UHFFFAOYSA-N- Molecular formula
- C19H35N3O3
- Average molar mass
- 353.5 g/mol
- Monoisotopic mass
- 353.26784199
Names & identifiers
- Preferred name
- Malonamic acid, N,2-bis(piperidinomethyl)-2-ethyl-, ethyl ester
- IUPAC
- ethyl 2-(piperidin-1-ylmethyl)-2-(piperidin-1-ylmethylcarbamoyl)butanoate
Names & synonyms
Sch 3791BRN 132574694380-74-2N,2-Bis(piperidinomethyl)-2-ethyl-malonamic acid ethyl esterMALONAMIC ACID, N,2-BIS(PIPERIDINOMETHYL)-2-ETHYL-, ETHYL ESTERPiperidinometilamide dell'etil-piperidinometil-malonato monoetilico [Italian]Piperidinometilamide dell'etil-piperidinometil-malonato monoetilicoRefChem:351820DTXSID20915581ETHYL2-(PIPERIDIN-1-YLMETHYL)-2-(PIPERIDIN-1-YLMETHYLCARBAMOYL)BUTANOATE2-(Ethoxycarbonyl)-N,2-bis[(piperidin-1-yl)methyl]butanimidic acid
Database identifiers
- CAS
94380-74-2- PubChem CID
- 56751
- DTXSID
DTXSID20915581- Nikkaji
- J85.366F
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 61.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 432
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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