tert-Butyl 3-[(4-{[(3,4-dichlorophenyl)amino]carbonyl}piperazin-1-yl)methyl]pyrrolidine-1-carboxylate

HCID 57656809
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Basic information

Standard SMILES
CC(C)(C)OC(=O)N1CCC(CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1
InChIKey
JLIXONXJOPBURS-UHFFFAOYSA-N
Molecular formula
C21H30Cl2N4O3
Average molar mass
457.4 g/mol

Names & identifiers

Preferred name
tert-Butyl 3-[(4-{[(3,4-dichlorophenyl)amino]carbonyl}piperazin-1-yl)methyl]pyrrolidine-1-carboxylate
IUPAC
tert-butyl 3-[[4-[(3,4-dichlorophenyl)carbamoyl]piperazin-1-yl]methyl]pyrrolidine-1-carboxylate

Names & synonyms

SCHEMBL12539284JLIXONXJOPBURS-UHFFFAOYSA-Ntert-Butyl 3-[(4-{[(3,4-dichlorophenyl)amino]carbonyl}piperazin-1-yl)methyl]pyrrolidine-1-carboxylate

Database identifiers

PubChem CID
57656809

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
65.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
30

Related reactions

3 records
New reaction record

Compound notes

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