rac-[(3R,4S)-3-(3,4-Dichloro-phenyl)-4-isopropylamino-pyrrolidin-1-yl]-[1-(1-methyl-cyclopropanecarbonyl)-piperidin-4-yl]-methanone

HCID 67239261
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Basic information

Standard SMILES
CC(C)N[C@@H]1CN(C(=O)C2CCN(C(=O)C3(C)CC3)CC2)C[C@H]1c1ccc(Cl)c(Cl)c1
InChIKey
ATVPOJOQXBONDQ-GHTZIAJQSA-N
Molecular formula
C24H33Cl2N3O2
Average molar mass
466.4 g/mol

Names & identifiers

Preferred name
rac-[(3R,4S)-3-(3,4-Dichloro-phenyl)-4-isopropylamino-pyrrolidin-1-yl]-[1-(1-methyl-cyclopropanecarbonyl)-piperidin-4-yl]-methanone
IUPAC
[(3R,4S)-3-(3,4-dichlorophenyl)-4-(propan-2-ylamino)pyrrolidin-1-yl]-[1-(1-methylcyclopropanecarbonyl)piperidin-4-yl]methanone

Names & synonyms

SCHEMBL1990280ATVPOJOQXBONDQ-GHTZIAJQSA-Nrac-[(3R,4S)-3-(3,4-Dichloro-phenyl)-4-isopropylamino-pyrrolidin-1-yl]-[1-(1-methyl-cyclopropanecarbonyl)-piperidin-4-yl]-methanone

Database identifiers

PubChem CID
67239261

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
52.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
31

Related reactions

2 records
New reaction record

Compound notes

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