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Ilepcimide

PubChem CID: 641115

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Compound Synonyms ILEPCIMIDE, Antiepilepsirine, 82857-82-7, (E)-3-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylprop-2-en-1-one, 5ML58O200F, NSC630376, (E)-3-Benzo[1,3]dioxol-5-yl-1-piperidin-1-yl-propenone, 1-[(E)-3,4-(Methylenedioxy)cinnamoyl]piperidine, Piperidine, 1-(3-(1,3-benzodioxol-5-yl)-1-oxo-2-propenyl)-, (E)-, piperidine, 1-[(2E)-3-(1,3-benzodioxol-5-yl)-1-oxo-2-propenyl]-, (E)-3-(Benzo[d][1,3]dioxol-5-yl)-1-(piperidin-1-yl)prop-2-en-1-one, 1-((E)-3,4-(Methylenedioxy)cinnamoyl)piperidine, Ilepcimide [USAN:INN], Ilepcimida, UNII-5ML58O200F, Piperidine, 1-[3-(1,3-benzodioxol-5-yl)-1-oxo-2-propenyl]-, (E)-, Antiepile.psi.rine, ILEPCIMIDE [INN], Ilepcimide (USAN/INN), ILEPCIMIDE [USAN], ILEPCIMIDE [WHO-DD], MLS001203144, SCHEMBL668328, CHEMBL118478, SCHEMBL3838030, BLPUOQGPBJPXRL-FNORWQNLSA-N, CHEBI:177671, HMS1702D08, HMS2844C16, BDBM50415871, NSC125179, STK416971, AKOS000768524, NSC-125179, NSC-630376, NCGC00244970-01, Piperidine,4-(methylenedioxy)cinnamoyl]-, SMR000503286, NS00120435, D04503, EN300-6492980, 1-(3-(1,3-Benzodioxol-5-yl)acryloyl)piperidine, EN300-25657423, Piperidine,3-benzodioxol-5-yl)-1-oxo-2-propenyl]-, Q5997605, BRD-K43873574-001-01-8, Z31424455, (E)-3-(3,4-Methylenedioxyphenyl)-2-propenoylpiperidide, 1-[(E)-3-(1,3-Benzodioxol-5-yl)-2-propenoyl]piperidine, 1-[(2E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]piperidine, 3-(1,3-dioxaindan-5-yl)-1-(piperidin-1-yl)prop-2-en-1-one, (E)-3-(1,3-benzodioxol-5-yl)-1-(1-piperidyl)prop-2-en-1-one, (2E)-3-(1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)prop-2-en-1-one, (2E)-3-(1,3-dioxaindan-5-yl)-1-(piperidin-1-yl)prop-2-en-1-one, (E)-3-(1,3-BENZODIOXOL-5-YL)-1-PIPERIDINO-2-PROPEN-1-ONE, 2-Propen-1-one, 3-(1,3-benzodioxol-5-yl)-1-(1-piperidinyl)-, (2E)-, Piperidine, 1-(3-(1,3-benzodioxol-5-yl)-1-oxo-2-propenyl)-, (E)-, , InChI=1/C15H17NO3/c17-15(16-8-2-1-3-9-16)7-5-12-4-6-13-14(10-12)19-11-18-13/h4-7,10H,1-3,8-9,11H2/b7-5
Topological Polar Surface Area 38.8
Hydrogen Bond Donor Count 0.0
Heavy Atom Count 19.0
Isotope Atom Count 0.0
Molecular Complexity 349.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id Q8NER1, P51151, P00811, O15118, Q16236, Q92830, Q96QE3, Q9UNA4, P08659, O94925, P38398, Q13148, P18507, P09917, P0DTD1, n.a.
Iupac Name (E)-3-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylprop-2-en-1-one
Prediction Hob 1.0
Target Id NPT472, NPT537, NPT538
Xlogp 2.8
Molecular Formula C15H17NO3
Prediction Swissadme 1.0
Inchi Key BLPUOQGPBJPXRL-FNORWQNLSA-N
Fcsp3 0.4
Logs -4.389
Rotatable Bond Count 2.0
Logd 3.41
Compound Name Ilepcimide
Prediction Hob Swissadme 1.0
Exact Mass 259.121
Formal Charge 0.0
Monoisotopic Mass 259.121
Hydrogen Bond Acceptor Count 3.0
Molecular Weight 259.3
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 1.0
Esol -3.259975210526316
Inchi InChI=1S/C15H17NO3/c17-15(16-8-2-1-3-9-16)7-5-12-4-6-13-14(10-12)19-11-18-13/h4-7,10H,1-3,8-9,11H2/b7-5+
Smiles C1CCN(CC1)C(=O)/C=C/C2=CC3=C(C=C2)OCO3
Nring 3.0
Defined Bond Stereocenter Count 1.0