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1-piperidinecarboxamide, n-methyl-n-(2-(methyl(2-phenylethyl)amino)ethyl)-4-(phenylmethyl)-, 2-hydroxy-1,2,3-propanetricarboxylate (salt)

HCID 215843
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Basic information

CAS
36431-79-5
Standard SMILES
CN(CCc1ccccc1)CCN(C)C(=O)N1CCC(Cc2ccccc2)CC1.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIKey
UFQYKKHEQYQKKF-UHFFFAOYSA-N
Molecular formula
C31H43N3O8
Average molar mass
585.7 g/mol
Monoisotopic mass
585.30501534

Names & identifiers

Preferred name
1-piperidinecarboxamide, n-methyl-n-(2-(methyl(2-phenylethyl)amino)ethyl)-4-(phenylmethyl)-, 2-hydroxy-1,2,3-propanetricarboxylate (salt)
IUPAC
4-benzyl-N-methyl-N-[2-[methyl(2-phenylethyl)amino]ethyl]piperidine-1-carboxamide;2-hydroxypropane-1,2,3-tricarboxylic acid

Names & synonyms

83-21 R & C1-Piperidinecarboxamide, N-methyl-N-(2-(methyl(2-phenylethyl)amino)ethyl)-4-(phenylmethyl)-, 2-hydroxy-1,2,3-propanetricarboxylate (salt)36431-79-5DTXSID50189955N-(Benzyl-4 piperidino-carbonyle-1) N,N'-dimethyl N'-phenethyl ethylenediamine citrateRefChem:234308DTXCID101124462-Hydroxypropane-1,2,3-tricarboxylic acid--4-benzyl-N-methyl-N-{2-[methyl(2-phenylethyl)amino]ethyl}piperidine-1-carboxamide (1/1)

Database identifiers

CAS
36431-79-5
PubChem CID
215843
DTXSID
DTXSID50189955

Properties

Computed structural properties

Topological polar surface area
159 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
9
Rotatable bonds
13
Heavy atoms
42
Formal charge
0
Complexity
690

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