(E)-1-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-3-(furan-2-yl)prop-2-en-1-one

C18H18FNO4S — CID 71808788

IUPAC(E)-1-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-3-(furan-2-yl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccco1)N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C18H18FNO4S/c19-14-3-6-16(7-4-14)25(22,23)17-9-11-20(12-10-17)18(21)8-5-15-2-1-13-24-15/h1-8,13,17H,9-12H2/b8-5+
InChIKeyFMUPAOGTBWNFFF-VMPITWQZSA-N
MW363.41 g/mol
LogP2.90
Rot. Bonds4

About (E)-1-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-3-(furan-2-yl)prop-2-en-1-one

(E)-1-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-3-(furan-2-yl)prop-2-en-1-one (PubChem CID 71808788) has the molecular formula C18H18FNO4S and a molecular weight of 363.41 g/mol. Its IUPAC name is (E)-1-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-3-(furan-2-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-3-(furan-2-yl)prop-2-en-1-one
PubChem CID71808788
Molecular FormulaC18H18FNO4S
Molecular Weight363.41 g/mol
Exact Mass363.09
IUPAC Name(E)-1-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-3-(furan-2-yl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccco1)N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C18H18FNO4S/c19-14-3-6-16(7-4-14)25(22,23)17-9-11-20(12-10-17)18(21)8-5-15-2-1-13-24-15/h1-8,13,17H,9-12H2/b8-5+
InChIKeyFMUPAOGTBWNFFF-VMPITWQZSA-N
XLogP2.90
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(furan-2-yl)-1-(4-methylsulfonylpiperidin-1-yl)prop-2-en-1-one
CID 71805643
1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-3-(furan-2-yl)prop-2-en-1-one
CID 4805717
(E)-1-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-3-(furan-2-yl)prop-2-en-1-one
CID 6215537
(E)-1-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-(furan-2-yl)prop-2-en-1-one
CID 33014305
(E)-3-(furan-2-yl)-1-(4-methylsulfonylpiperazin-1-yl)prop-2-en-1-one
CID 45497154
1-[(E)-3-(furan-2-yl)prop-2-enoyl]pyrrolidine-3-carboxylic acid
CID 63007276
(4-fluorophenyl)-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone
CID 90589559
3-(furan-2-yl)-1-(4-methylpiperazin-1-yl)prop-2-en-1-one
CID 963828
2-[1-[3-(furan-2-yl)prop-2-enoyl]pyrrolidin-3-yl]acetic acid
CID 77104443
(E)-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-3-phenylprop-2-en-1-one
CID 73168133
(E)-1-(3-aminopiperidin-1-yl)-3-(furan-2-yl)prop-2-en-1-one
CID 82234987
(E)-3-(furan-2-yl)-1-[3-(methylamino)pyrrolidin-1-yl]prop-2-en-1-one
CID 81469240

Frequently Asked Questions

What is the IUPAC name of (E)-1-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-3-(furan-2-yl)prop-2-en-1-one?
The IUPAC name of (E)-1-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-3-(furan-2-yl)prop-2-en-1-one (CID 71808788) is (E)-1-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-3-(furan-2-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-3-(furan-2-yl)prop-2-en-1-one?
The canonical SMILES for (E)-1-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-3-(furan-2-yl)prop-2-en-1-one is O=C(/C=C/c1ccco1)N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of (E)-1-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-3-(furan-2-yl)prop-2-en-1-one?
The InChIKey is FMUPAOGTBWNFFF-VMPITWQZSA-N. The full InChI is InChI=1S/C18H18FNO4S/c19-14-3-6-16(7-4-14)25(22,23)17-9-11-20(12-10-17)18(21)8-5-15-2-1-13-24-15/h1-8,13,17H,9-12H2/b8-5+.
What are the key properties of (E)-1-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-3-(furan-2-yl)prop-2-en-1-one?
(E)-1-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-3-(furan-2-yl)prop-2-en-1-one has a molecular weight of 363.41 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-3-(furan-2-yl)prop-2-en-1-one is sourced from PubChem (CID 71808788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).