2-{[4-(3-{1-[(1,3-Dioxo-2,3-dihydro-1h-isoindol-2-yl)methyl]-4-piperidyl}propyl)piperidino]methyl}isoindoline-1,3-dione

HCID 280606

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Basic information

CAS: 85122-85-6
Standard SMILES: O=C1c2ccccc2C(=O)N1CN1CCC(CCCC2CCN(CN3C(=O)c4ccccc4C3=O)CC2)CC1
InChIKey: OMFFGPOWRKDUJU-UHFFFAOYSA-N
Molecular formula: C31H36N4O4
Average molar mass: 528.6 g/mol
Monoisotopic mass: 528.27365564

Names & identifiers

Preferred name: 2-{[4-(3-{1-[(1,3-Dioxo-2,3-dihydro-1h-isoindol-2-yl)methyl]-4-piperidyl}propyl)piperidino]methyl}isoindoline-1,3-dione
IUPAC: 2-[[4-[3-[1-[(1,3-dioxoisoindol-2-yl)methyl]piperidin-4-yl]propyl]piperidin-1-yl]methyl]isoindole-1,3-dione

Names & synonyms

85122-85-62-[[4-[3-[1-[(1,3-dioxoisoindol-2-yl)methyl]piperidin-4-yl]propyl]piperidin-1-yl]methyl]isoindole-1,3-dione2-{[4-(3-{1-[(1,3-dioxo-2,3-dihydro-1h-isoindol-2-yl)methyl]-4-piperidyl}propyl)piperidino]methyl}isoindoline-1,3-dioneNSC132389Oprea1_382929SCHEMBL14028448DTXSID40299739CCG-246654NSC-1323892,2'-[Propane-1,3-diylbis(piperidine-4,1-diylmethylene)]di(1H-isoindole-1,3(2H)-dione)

Database identifiers

CAS: 85122-85-6
PubChem CID: 280606
DTXSID: DTXSID40299739

Properties

Computed structural properties

XLogP: 5
Topological polar surface area: 81.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 8
Heavy atoms: 39
Formal charge: 0
Complexity: 817

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