1-(7-fluoro-1-benzofuran-2-yl)-2-methyl-2-piperidin-3-ylpropan-1-one

C17H20FNO2 — CID 114737366

IUPAC1-(7-fluoro-1-benzofuran-2-yl)-2-methyl-2-piperidin-3-ylpropan-1-one
SMILESCC(C)(C(=O)c1cc2cccc(F)c2o1)C1CCCNC1
InChIInChI=1S/C17H20FNO2/c1-17(2,12-6-4-8-19-10-12)16(20)14-9-11-5-3-7-13(18)15(11)21-14/h3,5,7,9,12,19H,4,6,8,10H2,1-2H3
InChIKeyNQEGZEKYQUHITJ-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.78
Rot. Bonds3

About 1-(7-fluoro-1-benzofuran-2-yl)-2-methyl-2-piperidin-3-ylpropan-1-one

1-(7-fluoro-1-benzofuran-2-yl)-2-methyl-2-piperidin-3-ylpropan-1-one (PubChem CID 114737366) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is 1-(7-fluoro-1-benzofuran-2-yl)-2-methyl-2-piperidin-3-ylpropan-1-one.

Molecular Properties

Compound Name1-(7-fluoro-1-benzofuran-2-yl)-2-methyl-2-piperidin-3-ylpropan-1-one
PubChem CID114737366
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name1-(7-fluoro-1-benzofuran-2-yl)-2-methyl-2-piperidin-3-ylpropan-1-one
SMILESCC(C)(C(=O)c1cc2cccc(F)c2o1)C1CCCNC1
InChIInChI=1S/C17H20FNO2/c1-17(2,12-6-4-8-19-10-12)16(20)14-9-11-5-3-7-13(18)15(11)21-14/h3,5,7,9,12,19H,4,6,8,10H2,1-2H3
InChIKeyNQEGZEKYQUHITJ-UHFFFAOYSA-N
XLogP3.78
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-3-fluorophenyl)-3-methyl-3-piperidin-3-ylbutan-2-one
CID 116611257
2-methyl-1-(3-methylphenyl)-2-piperidin-3-ylpropan-1-one
CID 116611171
N-(2-fluorophenyl)-2-methyl-2-piperidin-3-ylpropanamide
CID 83031990
1-(7-fluoro-1-benzofuran-2-yl)-2-methyl-2-phenylpropan-1-one
CID 114725241
3-amino-1-(7-fluoro-1-benzofuran-2-yl)-2,2-dimethylpropan-1-one
CID 114737156
1-(2,3-difluoro-4-methylphenyl)-2-methyl-2-piperidin-3-ylpropan-1-one
CID 107515011
1-(3,4-difluorophenyl)-3-methyl-3-piperidin-3-ylbutan-2-one
CID 116611258
1-(3-fluoro-4-pyridinyl)-2-methyl-2-piperidin-3-ylpropan-1-one
CID 116611168
N-(2,5-difluorophenyl)-2-methyl-2-piperidin-3-ylpropanamide
CID 83198550
(2,2-dimethylcyclopentyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 107187565
1-(7-fluoro-1-benzofuran-2-yl)-2-morpholin-2-ylethanone
CID 114736887
(7-fluoro-1-benzofuran-2-yl)-thiomorpholin-3-ylmethanone
CID 114737342

Frequently Asked Questions

What is the IUPAC name of 1-(7-fluoro-1-benzofuran-2-yl)-2-methyl-2-piperidin-3-ylpropan-1-one?
The IUPAC name of 1-(7-fluoro-1-benzofuran-2-yl)-2-methyl-2-piperidin-3-ylpropan-1-one (CID 114737366) is 1-(7-fluoro-1-benzofuran-2-yl)-2-methyl-2-piperidin-3-ylpropan-1-one.
What is the SMILES notation for 1-(7-fluoro-1-benzofuran-2-yl)-2-methyl-2-piperidin-3-ylpropan-1-one?
The canonical SMILES for 1-(7-fluoro-1-benzofuran-2-yl)-2-methyl-2-piperidin-3-ylpropan-1-one is CC(C)(C(=O)c1cc2cccc(F)c2o1)C1CCCNC1.
What is the InChIKey of 1-(7-fluoro-1-benzofuran-2-yl)-2-methyl-2-piperidin-3-ylpropan-1-one?
The InChIKey is NQEGZEKYQUHITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-17(2,12-6-4-8-19-10-12)16(20)14-9-11-5-3-7-13(18)15(11)21-14/h3,5,7,9,12,19H,4,6,8,10H2,1-2H3.
What are the key properties of 1-(7-fluoro-1-benzofuran-2-yl)-2-methyl-2-piperidin-3-ylpropan-1-one?
1-(7-fluoro-1-benzofuran-2-yl)-2-methyl-2-piperidin-3-ylpropan-1-one has a molecular weight of 289.35 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-fluoro-1-benzofuran-2-yl)-2-methyl-2-piperidin-3-ylpropan-1-one is sourced from PubChem (CID 114737366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).