Troxipide

C₁₅H₂₂N₂O₄CAS 30751-05-4294.35 g/mol

Open in Covalent MOL file

Ether Secondary amine

Properties

Molecular formula: C₁₅H₂₂N₂O₄
Molar mass: 294.35 g/mol
Exact mass: 294.1580 Da
Melting point: 179–185 °C
logP: 1.77Crippen estimate
Polar surface area: 72.3 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 5

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number

30751-05-4

SMILES

COc1cc(C(O)=NC2CCCNC2)cc(OC)c1OC

InChIKey

YSIITVVESCNIPR-UHFFFAOYSA-N

InChI

InChI=1S/C15H22N2O4/c1-19-12-7-10(8-13(20-2)14(12)21-3)15(18)17-11-5-4-6-16-9-11/h7-8,11,16H,4-6,9H2,1-3H3,(H,17,18)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names

Benzamide, 3,4,5-trimethoxy-N-3-piperidinyl-
Benzamide, 3,4,5-trimethoxy-N-3-piperidyl-
3,4,5-Trimethoxy-N-3-piperidinylbenzamide
3-(3,4,5-Trimethoxybenzamido)piperidine
KU 54
Aplace
(N-Piperidin-3-yl)-3,4,5-trimethoxybenzamide

Work with Troxipide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3,4,5-Trimethoxybenzohydrazide3291-03-049 % similar Eudesmic acid118-41-240 % similar 3,4,5-Trimethoxybenzamide3086-62-240 % similar N-4-Piperidylbenzamide33953-37-638 % similar (S)-(-)-3-Acetamidopyrrolidine114636-31-638 % similar 4-Hydroxy-3,5-dimethoxybenzoic acid hydrazide1443-76-137 % similar Trimethobenzamide hydrochloride554-92-736 % similar 3',4',5'-Trimethoxyacetophenone1136-86-335 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

D-Leucyl-L-tyrosine3303-29-5 Leucyltyrosine968-21-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook