(5-fluoro-3-methyl-1-benzofuran-2-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone

C16H18FNO3 — CID 60957631

IUPAC(5-fluoro-3-methyl-1-benzofuran-2-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
SMILESCc1c(C(=O)N2CCC(CO)CC2)oc2ccc(F)cc12
InChIInChI=1S/C16H18FNO3/c1-10-13-8-12(17)2-3-14(13)21-15(10)16(20)18-6-4-11(9-19)5-7-18/h2-3,8,11,19H,4-7,9H2,1H3
InChIKeyPLVCSFDTOTZJEG-UHFFFAOYSA-N
MW291.32 g/mol
LogP2.72
Rot. Bonds2

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

(5-fluoro-3-methyl-1-benzofuran-2-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 60957631) has the molecular formula C16H18FNO3 and a molecular weight of 291.32 g/mol. Its IUPAC name is (5-fluoro-3-methyl-1-benzofuran-2-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-fluoro-3-methyl-1-benzofuran-2-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID60957631
Molecular FormulaC16H18FNO3
Molecular Weight291.32 g/mol
Exact Mass291.13
IUPAC Name(5-fluoro-3-methyl-1-benzofuran-2-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
SMILESCc1c(C(=O)N2CCC(CO)CC2)oc2ccc(F)cc12
InChIInChI=1S/C16H18FNO3/c1-10-13-8-12(17)2-3-14(13)21-15(10)16(20)18-6-4-11(9-19)5-7-18/h2-3,8,11,19H,4-7,9H2,1H3
InChIKeyPLVCSFDTOTZJEG-UHFFFAOYSA-N
XLogP2.72
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]acetamide
CID 56813575
(5-fluoro-3-methyl-1-benzofuran-2-yl)-(4-phenylpiperidin-1-yl)methanone
CID 24660150
(5-bromo-3-methyl-1-benzofuran-2-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62370952
(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
(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
[(1S)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone
CID 96537714
1,4-diazabicyclo[3.2.1]octan-4-yl-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone
CID 138035763
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone
CID 27364713
1-[4-(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 48868286

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-3-methyl-1-benzofuran-2-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (5-fluoro-3-methyl-1-benzofuran-2-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone (CID 60957631) is (5-fluoro-3-methyl-1-benzofuran-2-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-fluoro-3-methyl-1-benzofuran-2-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (5-fluoro-3-methyl-1-benzofuran-2-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone is Cc1c(C(=O)N2CCC(CO)CC2)oc2ccc(F)cc12.
What is the InChIKey of (5-fluoro-3-methyl-1-benzofuran-2-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is PLVCSFDTOTZJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO3/c1-10-13-8-12(17)2-3-14(13)21-15(10)16(20)18-6-4-11(9-19)5-7-18/h2-3,8,11,19H,4-7,9H2,1H3.
What are the key properties of (5-fluoro-3-methyl-1-benzofuran-2-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone?
(5-fluoro-3-methyl-1-benzofuran-2-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 291.32 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-3-methyl-1-benzofuran-2-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 60957631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).