1-[4,4-Bis(4-fluorophenyl)butyl]-2-piperazinecarboxamide

HCID 13883288

Notes Reactions

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Basic information

Standard SMILES: NC(=O)C1CNCCN1CCCC(c1ccc(F)cc1)c1ccc(F)cc1
InChIKey: BSJWIZFCTFMJGT-UHFFFAOYSA-N
Molecular formula: C21H25F2N3O
Average molar mass: 373.4 g/mol

Names & identifiers

Preferred name: 1-[4,4-Bis(4-fluorophenyl)butyl]-2-piperazinecarboxamide
IUPAC: 1-[4,4-bis(4-fluorophenyl)butyl]piperazine-2-carboxamide

Names & synonyms

SCHEMBL10361881BSJWIZFCTFMJGT-UHFFFAOYSA-N1-[4,4-bis(4-fluorophenyl)butyl]-2-piperazinecarboxamide1-[4,4-Bis(4-fluorophenyl)butyl]-piperazine-2-carboxamide

Database identifiers

PubChem CID: 13883288

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 58.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 7
Heavy atoms: 27
Formal charge: 0
Complexity: 440

Related reactions

7 records

New reaction record

HRID 35319As productuspto-grants-1988_08

HRID 35339As reactantuspto-grants-1988_08

HRID 35341As reactantuspto-grants-1988_08

HRID 186759As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 1544524As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 2073495As productuspto-grants-1990_04

HRID 2146208As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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