2-[1-(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]acetamide

C17H19FN2O3 — CID 56813575

IUPAC2-[1-(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]acetamide
SMILESCc1c(C(=O)N2CCC(CC(N)=O)CC2)oc2ccc(F)cc12
InChIInChI=1S/C17H19FN2O3/c1-10-13-9-12(18)2-3-14(13)23-16(10)17(22)20-6-4-11(5-7-20)8-15(19)21/h2-3,9,11H,4-8H2,1H3,(H2,19,21)
InChIKeyRSXFWWGJZAKAGC-UHFFFAOYSA-N
MW318.35 g/mol
LogP2.61
Rot. Bonds3

About 2-[1-(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]acetamide

2-[1-(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]acetamide (PubChem CID 56813575) has the molecular formula C17H19FN2O3 and a molecular weight of 318.35 g/mol. Its IUPAC name is 2-[1-(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]acetamide
PubChem CID56813575
Molecular FormulaC17H19FN2O3
Molecular Weight318.35 g/mol
Exact Mass318.14
IUPAC Name2-[1-(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]acetamide
SMILESCc1c(C(=O)N2CCC(CC(N)=O)CC2)oc2ccc(F)cc12
InChIInChI=1S/C17H19FN2O3/c1-10-13-9-12(18)2-3-14(13)23-16(10)17(22)20-6-4-11(5-7-20)8-15(19)21/h2-3,9,11H,4-8H2,1H3,(H2,19,21)
InChIKeyRSXFWWGJZAKAGC-UHFFFAOYSA-N
XLogP2.61
TPSA76.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-fluoro-3-methyl-1-benzofuran-2-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 60957631
(5-fluoro-3-methyl-1-benzofuran-2-yl)-(4-phenylpiperidin-1-yl)methanone
CID 24660150
(5-fluoro-3-methyl-1-benzofuran-2-yl)-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
CID 17488293
(E)-but-2-ene;(5-fluoro-3-methyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone
CID 144763857
(5-fluoro-3-methyl-1-benzofuran-2-yl)-[(4S,5S)-4-(2-fluorophenoxy)-5-hydroxyazepan-1-yl]methanone
CID 110164512
[(1S)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone
CID 96537714
(5-chloro-3-methyl-1-benzofuran-2-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119544572
(4-benzyl-1,4-diazepan-1-yl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone
CID 18157490
1,4-diazabicyclo[3.2.1]octan-4-yl-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone
CID 138035763
(5-bromo-3-methyl-1-benzofuran-2-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62370952
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone
CID 27364713
[4-(1-aminoethyl)piperidin-1-yl]-(5-chloro-3-methyl-1-benzofuran-2-yl)methanone
CID 119518615

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]acetamide (CID 56813575) is 2-[1-(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]acetamide is Cc1c(C(=O)N2CCC(CC(N)=O)CC2)oc2ccc(F)cc12.
What is the InChIKey of 2-[1-(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]acetamide?
The InChIKey is RSXFWWGJZAKAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O3/c1-10-13-9-12(18)2-3-14(13)23-16(10)17(22)20-6-4-11(5-7-20)8-15(19)21/h2-3,9,11H,4-8H2,1H3,(H2,19,21).
What are the key properties of 2-[1-(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]acetamide?
2-[1-(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]acetamide has a molecular weight of 318.35 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 56813575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).