Basic information
- CAS
26844-30-4- Standard SMILES
O=C(O)c1ccccc1C(=O)NC1CCN(CCc2c[nH]c3ccccc23)CC1- InChIKey
JLACVOYZEGGBHH-UHFFFAOYSA-N- Molecular formula
- C23H25N3O3
- Average molar mass
- 391.5 g/mol
- Monoisotopic mass
- 391.18959167
Names & identifiers
- Preferred name
- Benzoic acid, 2-(((4-(2-(1H-indol-3-yl)ethyl)-4-piperidinyl)amino)carbonyl)-, hydrate
- IUPAC
- 2-[[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]carbamoyl]benzoic acid
Names & synonyms
Benzoic acid, 2-(((4-(2-(1H-indol-3-yl)ethyl)-4-piperidinyl)amino)carbonyl)-, hydrate26844-30-42-(((4-(2-(1H-Indol-3-yl)ethyl)-4-piperidinyl)amino)carbonyl)benzoic acid hydrate3-(2-(4-(2-Carboxybenzamido)piperid-1-yl)ethyl)indole hydrateDTXSID60181349RefChem:326586DTXCID201038402-({1-[2-(1h-indol-3-yl)ethyl]piperidin-4-yl}carbamoyl)benzoic acid
Database identifiers
- CAS
26844-30-4- PubChem CID
- 213633
- DTXSID
DTXSID60181349
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 85.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 576
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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