(5-fluoro-3-methyl-1-benzofuran-2-yl)-(4-phenylpiperidin-1-yl)methanone

C21H20FNO2 — CID 24660150

IUPAC(5-fluoro-3-methyl-1-benzofuran-2-yl)-(4-phenylpiperidin-1-yl)methanone
SMILESCc1c(C(=O)N2CCC(c3ccccc3)CC2)oc2ccc(F)cc12
InChIInChI=1S/C21H20FNO2/c1-14-18-13-17(22)7-8-19(18)25-20(14)21(24)23-11-9-16(10-12-23)15-5-3-2-4-6-15/h2-8,13,16H,9-12H2,1H3
InChIKeyLGNXWTNJSYKOHI-UHFFFAOYSA-N
MW337.39 g/mol
LogP4.90
Rot. Bonds2

About (5-fluoro-3-methyl-1-benzofuran-2-yl)-(4-phenylpiperidin-1-yl)methanone

(5-fluoro-3-methyl-1-benzofuran-2-yl)-(4-phenylpiperidin-1-yl)methanone (PubChem CID 24660150) has the molecular formula C21H20FNO2 and a molecular weight of 337.39 g/mol. Its IUPAC name is (5-fluoro-3-methyl-1-benzofuran-2-yl)-(4-phenylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-fluoro-3-methyl-1-benzofuran-2-yl)-(4-phenylpiperidin-1-yl)methanone
PubChem CID24660150
Molecular FormulaC21H20FNO2
Molecular Weight337.39 g/mol
Exact Mass337.15
IUPAC Name(5-fluoro-3-methyl-1-benzofuran-2-yl)-(4-phenylpiperidin-1-yl)methanone
SMILESCc1c(C(=O)N2CCC(c3ccccc3)CC2)oc2ccc(F)cc12
InChIInChI=1S/C21H20FNO2/c1-14-18-13-17(22)7-8-19(18)25-20(14)21(24)23-11-9-16(10-12-23)15-5-3-2-4-6-15/h2-8,13,16H,9-12H2,1H3
InChIKeyLGNXWTNJSYKOHI-UHFFFAOYSA-N
XLogP4.90
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-fluoro-3-methyl-1-benzofuran-2-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 60957631
2-[1-(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]acetamide
CID 56813575
(5-fluoro-3-methyl-1-benzofuran-2-yl)-[(4S,5S)-4-(2-fluorophenoxy)-5-hydroxyazepan-1-yl]methanone
CID 110164512
(3-methyl-1-benzofuran-2-yl)-(4-pyridin-4-ylpiperidin-1-yl)methanone
CID 16676076
(E)-but-2-ene;(5-fluoro-3-methyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone
CID 144763857
(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-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
CID 17488293
6-hydroxy-4-methyl-3-[(4R)-4-phenylazepane-1-carbonyl]chromen-2-one
CID 99707180
1,4-diazabicyclo[3.2.1]octan-4-yl-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone
CID 138035763
[(1S)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone
CID 96537714
(3,5-dimethyl-1-benzofuran-2-yl)-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 91946326
[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone
CID 91946452

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-3-methyl-1-benzofuran-2-yl)-(4-phenylpiperidin-1-yl)methanone?
The IUPAC name of (5-fluoro-3-methyl-1-benzofuran-2-yl)-(4-phenylpiperidin-1-yl)methanone (CID 24660150) is (5-fluoro-3-methyl-1-benzofuran-2-yl)-(4-phenylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-fluoro-3-methyl-1-benzofuran-2-yl)-(4-phenylpiperidin-1-yl)methanone?
The canonical SMILES for (5-fluoro-3-methyl-1-benzofuran-2-yl)-(4-phenylpiperidin-1-yl)methanone is Cc1c(C(=O)N2CCC(c3ccccc3)CC2)oc2ccc(F)cc12.
What is the InChIKey of (5-fluoro-3-methyl-1-benzofuran-2-yl)-(4-phenylpiperidin-1-yl)methanone?
The InChIKey is LGNXWTNJSYKOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO2/c1-14-18-13-17(22)7-8-19(18)25-20(14)21(24)23-11-9-16(10-12-23)15-5-3-2-4-6-15/h2-8,13,16H,9-12H2,1H3.
What are the key properties of (5-fluoro-3-methyl-1-benzofuran-2-yl)-(4-phenylpiperidin-1-yl)methanone?
(5-fluoro-3-methyl-1-benzofuran-2-yl)-(4-phenylpiperidin-1-yl)methanone has a molecular weight of 337.39 g/mol, XLogP of 4.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-3-methyl-1-benzofuran-2-yl)-(4-phenylpiperidin-1-yl)methanone is sourced from PubChem (CID 24660150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).