4-((3,4-Dichlorophenyl)acetyl)-3-(pyrrolidin-1-ylmethyl)piperazine-1-carboxylic acid methyl ester

HCID 3505
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Basic information

CAS
126766-31-2
Standard SMILES
COC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)C(CN2CCCC2)C1
InChIKey
HJUAKZYKCANOOZ-UHFFFAOYSA-N
Molecular formula
C19H25Cl2N3O3
Average molar mass
414.3 g/mol
Monoisotopic mass
413.12729702

Overview

4-[2-(3,4-dichlorophenyl)-1-oxoethyl]-3-(1-pyrrolidinylmethyl)-1-piperazinecarboxylic acid methyl ester is a member of acetamides.

Names & identifiers

Preferred name
4-((3,4-Dichlorophenyl)acetyl)-3-(pyrrolidin-1-ylmethyl)piperazine-1-carboxylic acid methyl ester
IUPAC
methyl 4-[2-(3,4-dichlorophenyl)acetyl]-3-(pyrrolidin-1-ylmethyl)piperazine-1-carboxylate

Names & synonyms

GR-89696126766-31-2YXV3Q43RS9gr89696J363.375FUNII-YXV3Q43RS9GR 89696 (free base)CHEMBL603370(+/-)-Methyl 4-((3,4-dichlorophenyl)acetyl)-3-(pyrrolidin-1-ylmethyl)piperazine-1-carboxylate1-Piperazinecarboxylic acid, 4-((3,4-dichlorophenyl)acetyl)-3-(1-pyrrolidinylmethyl)-, methyl ester1-Piperazinecarboxylic acid, 4-(2-(3,4-dichlorophenyl)acetyl)-3-(1-pyrrolidinylmethyl)-, methyl ester4-((3,4-Dichlorophenyl)acetyl)-3-(pyrrolidin-1-ylmethyl)piperazine-1-carboxylic acid methyl ester
Show more names
GR 855711-((3,4-Dichlorophenyl)acetyl)-4-acetyl-2-(1-pyrrolidinylmethyl)piperazineGR 89696 free baseLopac0_000572GTPL1649orb1744853SCHEMBL4545382SCHEMBL29878663

Database identifiers

CAS
126766-31-2
PubChem CID
3505
DTXSID
DTXSID50875164
ChEMBL
CHEMBL603370
ChEBI
CHEBI:91965
UNII
YXV3Q43RS9
Nikkaji
J363.375F

Properties

Computed structural propertiesFilling in

XLogP
2.8
Topological polar surface area
53.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
27

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