2'-Methyl-5-(4-methyl-piperazin-1-yl)-biphenyl-2-carboxylic acid methylamide

HCID 54469987

Notes Reactions

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Basic information

Standard SMILES: CNC(=O)c1ccc(N2CCN(C)CC2)cc1-c1ccccc1C
InChIKey: XHQOIMOOVOFSNO-UHFFFAOYSA-N
Molecular formula: C20H25N3O
Average molar mass: 323.4 g/mol

Names & identifiers

Preferred name: 2'-Methyl-5-(4-methyl-piperazin-1-yl)-biphenyl-2-carboxylic acid methylamide
IUPAC: N-methyl-2-(2-methylphenyl)-4-(4-methylpiperazin-1-yl)benzamide

Names & synonyms

SCHEMBL6862774XHQOIMOOVOFSNO-UHFFFAOYSA-N2'-Methyl-5-(4-methyl-piperazin-1-yl)-biphenyl-2-carboxylic acid methylamide2'-Methyl-5-(4methyl-piperazin-1-yl)-biphenyl-2-carboxylic acid methylamide

Database identifiers

PubChem CID: 54469987

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 35.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 24
Formal charge: 0
Complexity: 419

Related reactions

5 records

New reaction record

HRID 122507As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 1130952As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1267520As productuspto-grants-2003_04

HRID 1267521As reactantuspto-grants-2003_04

HRID 1596312As productuspto-grants-2001_09

Compound notes

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