(E)-but-2-ene;(5-fluoro-3-methyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone

C19H24FNO2 — CID 144763857

IUPAC(E)-but-2-ene;(5-fluoro-3-methyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone
SMILESC/C=C/C.Cc1c(C(=O)N2CCCCC2)oc2ccc(F)cc12
InChIInChI=1S/C15H16FNO2.C4H8/c1-10-12-9-11(16)5-6-13(12)19-14(10)15(18)17-7-3-2-4-8-17;1-3-4-2/h5-6,9H,2-4,7-8H2,1H3;3-4H,1-2H3/b;4-3+
InChIKeyGBMMQHVEGKCEIX-SCBDLNNBSA-N
MW317.40 g/mol
LogP5.09
Rot. Bonds1

About (E)-but-2-ene;(5-fluoro-3-methyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone

(E)-but-2-ene;(5-fluoro-3-methyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone (PubChem CID 144763857) has the molecular formula C19H24FNO2 and a molecular weight of 317.40 g/mol. Its IUPAC name is (E)-but-2-ene;(5-fluoro-3-methyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(E)-but-2-ene;(5-fluoro-3-methyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone
PubChem CID144763857
Molecular FormulaC19H24FNO2
Molecular Weight317.40 g/mol
Exact Mass317.18
IUPAC Name(E)-but-2-ene;(5-fluoro-3-methyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone
SMILESC/C=C/C.Cc1c(C(=O)N2CCCCC2)oc2ccc(F)cc12
InChIInChI=1S/C15H16FNO2.C4H8/c1-10-12-9-11(16)5-6-13(12)19-14(10)15(18)17-7-3-2-4-8-17;1-3-4-2/h5-6,9H,2-4,7-8H2,1H3;3-4H,1-2H3/b;4-3+
InChIKeyGBMMQHVEGKCEIX-SCBDLNNBSA-N
XLogP5.09
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.40
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5-fluoro-3-methyl-1-benzofuran-2-yl)-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
CID 17488293
(5-fluoro-3-methyl-1-benzofuran-2-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 60957631
(4-benzyl-1,4-diazepan-1-yl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone
CID 18157490
(5-fluoro-3-methyl-1-benzofuran-2-yl)-(4-phenylpiperidin-1-yl)methanone
CID 24660150
(3-methyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone
CID 768762
2-[1-(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]acetamide
CID 56813575
[(1S)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone
CID 96537714
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone
CID 27364713
(5-fluoro-3-methyl-1-benzofuran-2-yl)-[(4S,5S)-4-(2-fluorophenoxy)-5-hydroxyazepan-1-yl]methanone
CID 110164512
(3-methyl-5-morpholin-4-ylsulfonyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone
CID 4089524
1-[4-(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 48868286
[4-(4-fluorophenyl)piperazin-1-yl]-(5-methoxy-3-methyl-1-benzofuran-2-yl)methanone
CID 9077758

Frequently Asked Questions

What is the IUPAC name of (E)-but-2-ene;(5-fluoro-3-methyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone?
The IUPAC name of (E)-but-2-ene;(5-fluoro-3-methyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone (CID 144763857) is (E)-but-2-ene;(5-fluoro-3-methyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (E)-but-2-ene;(5-fluoro-3-methyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (E)-but-2-ene;(5-fluoro-3-methyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone is C/C=C/C.Cc1c(C(=O)N2CCCCC2)oc2ccc(F)cc12.
What is the InChIKey of (E)-but-2-ene;(5-fluoro-3-methyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone?
The InChIKey is GBMMQHVEGKCEIX-SCBDLNNBSA-N. The full InChI is InChI=1S/C15H16FNO2.C4H8/c1-10-12-9-11(16)5-6-13(12)19-14(10)15(18)17-7-3-2-4-8-17;1-3-4-2/h5-6,9H,2-4,7-8H2,1H3;3-4H,1-2H3/b;4-3+.
What are the key properties of (E)-but-2-ene;(5-fluoro-3-methyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone?
(E)-but-2-ene;(5-fluoro-3-methyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone has a molecular weight of 317.40 g/mol, XLogP of 5.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-but-2-ene;(5-fluoro-3-methyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 144763857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).