4-[1-[3-(Ethylamino)-2-pyridyl]piperazin-4-yl-carbonyl]benzoic acid methyl ester
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Basic information
- Standard SMILES
CCNc1cccnc1N1CCN(C(=O)c2ccc(C(=O)OC)cc2)CC1- InChIKey
YJZCSHQWROWJAR-UHFFFAOYSA-N- Molecular formula
- C20H24N4O3
- Average molar mass
- 368.4 g/mol
Names & identifiers
- Preferred name
- 4-[1-[3-(Ethylamino)-2-pyridyl]piperazin-4-yl-carbonyl]benzoic acid methyl ester
- IUPAC
- methyl 4-[4-[3-(ethylamino)-2-pyridinyl]piperazine-1-carbonyl]benzoate
Names & synonyms
YJZCSHQWROWJAR-UHFFFAOYSA-N4-[1-[3-(ethylamino)-2-pyridyl]piperazin-4-yl-carbonyl]benzoic acid methyl ester
Database identifiers
- PubChem CID
- 54512290
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 74.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 499
Related reactions
2 records
Compound notes
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