(7-fluoro-3-methyl-1-benzofuran-2-yl)-(3-propoxypiperidin-1-yl)methanone

C18H22FNO3 — CID 45171032

IUPAC(7-fluoro-3-methyl-1-benzofuran-2-yl)-(3-propoxypiperidin-1-yl)methanone
SMILESCCCOC1CCCN(C(=O)c2oc3c(F)cccc3c2C)C1
InChIInChI=1S/C18H22FNO3/c1-3-10-22-13-6-5-9-20(11-13)18(21)16-12(2)14-7-4-8-15(19)17(14)23-16/h4,7-8,13H,3,5-6,9-11H2,1-2H3
InChIKeyCYXUVIJEBAOVJR-UHFFFAOYSA-N
MW319.38 g/mol
LogP3.91
Rot. Bonds4

About (7-fluoro-3-methyl-1-benzofuran-2-yl)-(3-propoxypiperidin-1-yl)methanone

(7-fluoro-3-methyl-1-benzofuran-2-yl)-(3-propoxypiperidin-1-yl)methanone (PubChem CID 45171032) has the molecular formula C18H22FNO3 and a molecular weight of 319.38 g/mol. Its IUPAC name is (7-fluoro-3-methyl-1-benzofuran-2-yl)-(3-propoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(7-fluoro-3-methyl-1-benzofuran-2-yl)-(3-propoxypiperidin-1-yl)methanone
PubChem CID45171032
Molecular FormulaC18H22FNO3
Molecular Weight319.38 g/mol
Exact Mass319.16
IUPAC Name(7-fluoro-3-methyl-1-benzofuran-2-yl)-(3-propoxypiperidin-1-yl)methanone
SMILESCCCOC1CCCN(C(=O)c2oc3c(F)cccc3c2C)C1
InChIInChI=1S/C18H22FNO3/c1-3-10-22-13-6-5-9-20(11-13)18(21)16-12(2)14-7-4-8-15(19)17(14)23-16/h4,7-8,13H,3,5-6,9-11H2,1-2H3
InChIKeyCYXUVIJEBAOVJR-UHFFFAOYSA-N
XLogP3.91
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(8-fluoroquinolin-2-yl)-[(3R)-3-propoxypiperidin-1-yl]methanone
CID 97149570
(4-ethylpiperazin-1-yl)-(7-fluoro-3-methyl-1-benzofuran-2-yl)methanone
CID 42510639
(2-fluoro-5-methylphenyl)-(3-propoxypiperidin-1-yl)methanone
CID 62512361
(2,3-difluorophenyl)-(3-ethoxypiperidin-1-yl)methanone
CID 62662335
(4-bromophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 46029100
(4-chlorophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 46029094
1H-indol-3-yl-(3-propoxypiperidin-1-yl)methanone
CID 61171911
(7-chloro-3-methyl-1-benzofuran-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 110878437
[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(7-fluoro-3-methyl-1-benzofuran-2-yl)methanone
CID 71927981
1H-indazol-3-yl-(3-propoxypiperidin-1-yl)methanone
CID 56820766
6-[1-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)pyrrolidin-3-yl]-1H-pyrimidine-2,4-dione
CID 167899353
(6-chloro-2-pyridinyl)-(3-propoxypiperidin-1-yl)methanone
CID 62233136

Frequently Asked Questions

What is the IUPAC name of (7-fluoro-3-methyl-1-benzofuran-2-yl)-(3-propoxypiperidin-1-yl)methanone?
The IUPAC name of (7-fluoro-3-methyl-1-benzofuran-2-yl)-(3-propoxypiperidin-1-yl)methanone (CID 45171032) is (7-fluoro-3-methyl-1-benzofuran-2-yl)-(3-propoxypiperidin-1-yl)methanone.
What is the SMILES notation for (7-fluoro-3-methyl-1-benzofuran-2-yl)-(3-propoxypiperidin-1-yl)methanone?
The canonical SMILES for (7-fluoro-3-methyl-1-benzofuran-2-yl)-(3-propoxypiperidin-1-yl)methanone is CCCOC1CCCN(C(=O)c2oc3c(F)cccc3c2C)C1.
What is the InChIKey of (7-fluoro-3-methyl-1-benzofuran-2-yl)-(3-propoxypiperidin-1-yl)methanone?
The InChIKey is CYXUVIJEBAOVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO3/c1-3-10-22-13-6-5-9-20(11-13)18(21)16-12(2)14-7-4-8-15(19)17(14)23-16/h4,7-8,13H,3,5-6,9-11H2,1-2H3.
What are the key properties of (7-fluoro-3-methyl-1-benzofuran-2-yl)-(3-propoxypiperidin-1-yl)methanone?
(7-fluoro-3-methyl-1-benzofuran-2-yl)-(3-propoxypiperidin-1-yl)methanone has a molecular weight of 319.38 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoro-3-methyl-1-benzofuran-2-yl)-(3-propoxypiperidin-1-yl)methanone is sourced from PubChem (CID 45171032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).