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Daporinad

C24H29N3O2CAS 658084-64-1391.52 g/mol

Open in Covalent MOL file
ONNHON
AlkeneAmide

Properties

Molecular formula
C24H29N3O2
Molar mass
391.52 g/mol
Exact mass
391.2260 Da
logP
4.77Crippen estimate
Polar surface area
65.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
8
Double bonds
EE/Z, in SMILES order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
658084-64-1
SMILES
O=C(c1ccccc1)N1CCC(CCCCN=C(O)/C=C/c2cccnc2)CC1
InChIKey
KPBNHDGDUADAGP-VAWYXSNFSA-N
InChI
InChI=1S/C24H29N3O2/c28-23(12-11-21-8-6-15-25-19-21)26-16-5-4-7-20-13-17-27(18-14-20)24(29)22-9-2-1-3-10-22/h1-3,6,8-12,15,19-20H,4-5,7,13-14,16-18H2,(H,26,28)/b12-11+

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Names and synonyms

5 names
  • (2E)-N-[4-(1-Benzoyl-4-piperidinyl)butyl]-3-(3-pyridinyl)-2-propenamide
  • 2-Propenamide, N-[4-(1-benzoyl-4-piperidinyl)butyl]-3-(3-pyridinyl)-, (2E)-
  • FK 866
  • K 22.175
  • APO 866

Work with Daporinad

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

1-Benzoylpiperidine-4-carboxylic acid5274-99-740 % similar 3-(3-Pyridinyl)-2-propenoic acid1126-74-539 % similar trans-3-(3-Pyridyl)acrylic acid19337-97-439 % similar N-(2-Amino-5-fluorophenyl)-4-[[[1-oxo-3-(3-pyridinyl)-2-propen-1-yl]amino]methyl]benzamide743420-02-238 % similar Benzoylpiperidine776-75-036 % similar 4-((3-Pyridinylcarbonyl)amino)butanoic acid34562-97-535 % similar N,N-Diethylnicotinamide59-26-734 % similar N-Benzoyl-4-perhydroazepinone15923-40-732 % similar

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

Elsewhere

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