
 1-(ethylsulfonyl)-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}piperidine-4-carboxamide

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M  END

>  <Chemical Name>
1-(ethylsulfonyl)-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}piperidine-4-carboxamide

>  <PubChem CID>
3239323

>  <Formula>
C21H33FN4O3S

>  <Molecular Weight>
440.578000

>  <IUPAC Name>
1-ethylsulfonyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]piperidine-4-carboxamide

>  <XlogP>
1.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CCS(=O)(=O)N1CCC(CC1)C(=O)NCCCN2CCN(CC2)C3=CC=CC=C3F

>  <Isomeric SMILES>
CCS(=O)(=O)N1CCC(CC1)C(=O)NCCCN2CCN(CC2)C3=CC=CC=C3F

>  <InChI Std. ID>
InChI=1S/C21H33FN4O3S/c1-2-30(28,29)26-12-8-18(9-13-26)21(27)23-10-5-11-24-14-16-25(17-15-24)20-7-4-3-6-19(20)22/h3-4,6-7,18H,2,5,8-17H2,1H3,(H,23,27)

>  <InChI Key>
HELQBULJEYEPSM-UHFFFAOYSA-N

