1-[2-[3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimethoxy-benzoyl)-pyrrolidin-3-yl]-ethyl]-4-(pyridin-4-yl)-piperidine-4-carboxylic acid amide

HCID 44319306

Basic information

Standard SMILES
COc1cc(C(=O)N2CCC(CCN3CCC(C(N)=O)(c4ccncc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC
InChIKey
PINXYVGXMYFCOO-UHFFFAOYSA-N
Molecular formula
C33H38Cl2N4O5
Average molar mass
641.6 g/mol

Names & identifiers

Preferred name
1-[2-[3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimethoxy-benzoyl)-pyrrolidin-3-yl]-ethyl]-4-(pyridin-4-yl)-piperidine-4-carboxylic acid amide
IUPAC
1-[2-[3-(3,4-dichlorophenyl)-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]ethyl]-4-pyridin-4-ylpiperidine-4-carboxamide

Names & synonyms

CHEMBL315923SCHEMBL8352868PINXYVGXMYFCOO-UHFFFAOYSA-NBDBM502903051-[2-[3-(3,4-dichloro-phenyl)-1-(3,4,5-trimethoxy-benzoyl)-pyrrolidin-3-yl]-ethyl]-4-(pyridin-4-y1)-piperidine-4-carboxylic acid amide1-[2-[3-(3,4-dichloro-phenyl)-1-(3,4,5-trimethoxy-benzoyl)-pyrrolidin-3-yl]-ethyl]-4-(pyridin-4-yl)-piperidine-4-carboxylic acid amide1-{2-[3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimethoxy-benzoyl)-pyrrolidin-3-yl]-ethyl}-2,3,5,6-tetrahydro-1H-[4,4'']bipyridinyl-4-carboxylic acid amide

Database identifiers

PubChem CID
44319306
ChEMBL
CHEMBL315923

Properties

Computed structural properties

XLogP
4.6
Topological polar surface area
107 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
10
Heavy atoms
44

Related reactions

7 records

Compound notes

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