Furan-2-yl-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone

HCID 754221

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Basic information

CAS: 487024-44-2
Standard SMILES: O=C(c1ccco1)N1CCC(N2CCN(c3ccccc3)CC2)CC1
InChIKey: SWJPXUHCJSLGLT-UHFFFAOYSA-N
Molecular formula: C20H25N3O2
Average molar mass: 339.4 g/mol
Monoisotopic mass: 339.19467705

Names & identifiers

Preferred name: Furan-2-yl-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone
IUPAC: furan-2-yl-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone

Names & synonyms

487024-44-2furan-2-yl-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone1-[1-(2-furoyl)-4-piperidinyl]-4-phenylpiperazinefuran-2-yl(4-(4-phenylpiperazin-1-yl)piperidin-1-yl)methanonefuran-2-yl[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone2-furyl 4-(4-phenylpiperazinyl)piperidyl ketoneMLS000768674CHEMBL1376912DTXSID201329473HMS2790N05CCG-23302STK000240

Show more names

AKOS001657373SMR000431993EU-0048627ST45109528AT-057/43318887(Furan-2-yl)[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanoneFuran-2-yl-[4-(4-phenyl-piperazin-1-yl)-piperidin-1-yl]-methanone(furan-2-yl)[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone--oxalic acid (1/1)

Database identifiers

CAS: 487024-44-2
PubChem CID: 754221
DTXSID: DTXSID201329473
ChEMBL: CHEMBL1376912

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 39.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 25
Formal charge: 0
Complexity: 436

Experimental & physicochemical properties

Solubility43.8 [ug/mL] (The mean of the results at pH 7.4)

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