1-(3-Benzo[1,3]dioxol-5-yl-acryloyl)-piperidine-4-carboxylic acid methyl ester

HCID 787348

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Basic information

CAS: 349541-64-6
Standard SMILES: COC(=O)C1CCN(C(=O)/C=C/c2ccc3c(c2)OCO3)CC1
InChIKey: BEDPIBBRLAHUAV-HWKANZROSA-N
Molecular formula: C17H19NO5
Average molar mass: 317.34 g/mol
Monoisotopic mass: 317.12632271

Names & identifiers

Preferred name: 1-(3-Benzo[1,3]dioxol-5-yl-acryloyl)-piperidine-4-carboxylic acid methyl ester
IUPAC: methyl 1-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]piperidine-4-carboxylate

Names & synonyms

349541-64-6(E)-methyl 1-(3-(benzo[d][1,3]dioxol-5-yl)acryloyl)piperidine-4-carboxylate1-(3-Benzo[1,3]dioxol-5-yl-acryloyl)-piperidine-4-carboxylic acid methyl esterMLS001208156CHEMBL1379301DTXSID001331393HMS2848D21STK396131AKOS000648458methyl 1-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]piperidine-4-carboxylateSMR000518102ST50584069

Show more names

methyl 1-[(2E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]piperidine-4-carboxylateMETHYL 1-[(2E)-3-(2H-1,3-BENZODIOXOL-5-YL)PROP-2-ENOYL]PIPERIDINE-4-CARBOXYLATEmethyl 1-((2E)-3-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)prop-2-enoyl)piperidine-4-c arboxylate

Database identifiers

CAS: 349541-64-6
PubChem CID: 787348
DTXSID: DTXSID001331393
ChEMBL: CHEMBL1379301

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 65.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 23
Formal charge: 0
Complexity: 470

Experimental & physicochemical properties

Solubility34 [ug/mL] (The mean of the results at pH 7.4)

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