chempirical

Alizapride

C16H21N5O2CAS 59338-93-1315.38 g/mol

Open in Covalent MOL file
NNHONHNNO
AlkeneEtherTertiary amine

Properties

Molecular formula
C16H21N5O2
Molar mass
315.38 g/mol
Exact mass
315.1695 Da
Melting point
139 °C
logP
1.92Crippen estimate
Polar surface area
86.6 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
6

Identifiers

CAS number
59338-93-1
SMILES
C=CCN1CCCC1CN=C(O)c1cc2[nH]nnc2cc1OC
InChIKey
KSEYRUGYKHXGFW-UHFFFAOYSA-N
InChI
InChI=1S/C16H21N5O2/c1-3-6-21-7-4-5-11(21)10-17-16(22)12-8-13-14(19-20-18-13)9-15(12)23-2/h3,8-9,11H,1,4-7,10H2,2H3,(H,17,22)(H,18,19,20)

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Names and synonyms

3 names
  • 1H-Benzotriazole-5-carboxamide, 6-methoxy-N-[[1-(2-propen-1-yl)-2-pyrrolidinyl]methyl]-
  • 1H-Benzotriazole-5-carboxamide, 6-methoxy-N-[[1-(2-propenyl)-2-pyrrolidinyl]methyl]-
  • 6-Methoxy-N-[[1-(2-propen-1-yl)-2-pyrrolidinyl]methyl]-1H-benzotriazole-5-carboxamide

Work with Alizapride

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

Amisulpride71675-85-944 % similar (±)-Sulpiride15676-16-144 % similar Levosulpiride23672-07-344 % similar N-(1-Ethyl-2-pyrrolidinylmethyl)-2-methoxy-5-(ethylsulfonyl)benzamide hydrochloride23694-17-942 % similar Remoxipride80125-14-039 % similar Alibendol26750-81-232 % similar Metoclopramide364-62-532 % similar Metoclopramide hydrochloride7232-21-530 % similar

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

Elsewhere

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