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2,4-Pentadien-1-one, 5-(1,3-benzodioxol-5-yl)-1-(1-piperidinyl)-, (2E,4E)-

PubChem CID: 4840

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Compound Synonyms 5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one, Piperidine, 1-(5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)-, 1-[5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl]piperidine, 2,4-Pentadien-1-one, 5-(1,3-benzodioxol-5-yl)-1-(1-piperidinyl)-, (2E,4E)-, Bioperine, 1-Piperoylpiperidine, Spectrum_000323, Prestwick0_000474, Prestwick1_000474, Spectrum2_000049, Spectrum3_000868, Spectrum4_000708, KBioGR_001235, KBioSS_000803, MLS006011979, DivK1c_000954, SPBio_000177, SPBio_002547, CHEMBL3188765, KBio1_000954, KBio2_000803, KBio2_003371, KBio2_005939, KBio3_002015, DTXSID50859166, NINDS_000954, HMS3656M07, SB41065, NCGC00094872-08, SMR001548271, SY048497, NS00076855, 5-(3,4-methylenedioxyphenyl)-2,4-pentadienoylpiperidine, (E,E)-1-[5-(1,3-Benzodioxol-5-yl)-1-oxo-2,4-pentadienyl]-piperidine, 5-(2H-1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)penta-2,4-dien-1-one
Topological Polar Surface Area 38.8
Hydrogen Bond Donor Count 0.0
Heavy Atom Count 21.0
Isotope Atom Count 0.0
Molecular Complexity 412.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id n.a.
Iupac Name 5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one
Prediction Hob 1.0
Xlogp 3.5
Molecular Formula C17H19NO3
Prediction Swissadme 1.0
Inchi Key MXXWOMGUGJBKIW-UHFFFAOYSA-N
Fcsp3 0.3529411764705882
Logs -4.11
Rotatable Bond Count 3.0
Logd 3.257
Compound Name 2,4-Pentadien-1-one, 5-(1,3-benzodioxol-5-yl)-1-(1-piperidinyl)-, (2E,4E)-
Prediction Hob Swissadme 1.0
Exact Mass 285.136
Formal Charge 0.0
Monoisotopic Mass 285.136
Hydrogen Bond Acceptor Count 3.0
Molecular Weight 285.34
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 2.0
Esol -3.736355171428572
Inchi InChI=1S/C17H19NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h2-3,6-9,12H,1,4-5,10-11,13H2
Smiles C1CCN(CC1)C(=O)C=CC=CC2=CC3=C(C=C2)OCO3
Nring 3.0
Defined Bond Stereocenter Count 0.0