1-(1-benzofuran-2-yl)-2-[(2S)-piperidin-2-yl]ethanone

C15H17NO2 — CID 129368395

IUPAC1-(1-benzofuran-2-yl)-2-[(2S)-piperidin-2-yl]ethanone
SMILESO=C(C[C@@H]1CCCCN1)c1cc2ccccc2o1
InChIInChI=1S/C15H17NO2/c17-13(10-12-6-3-4-8-16-12)15-9-11-5-1-2-7-14(11)18-15/h1-2,5,7,9,12,16H,3-4,6,8,10H2/t12-/m0/s1
InChIKeyVYEKSYRWRGGHDW-LBPRGKRZSA-N
MW243.31 g/mol
LogP3.15
Rot. Bonds3

About 1-(1-benzofuran-2-yl)-2-[(2S)-piperidin-2-yl]ethanone

1-(1-benzofuran-2-yl)-2-[(2S)-piperidin-2-yl]ethanone (PubChem CID 129368395) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-2-[(2S)-piperidin-2-yl]ethanone.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-2-[(2S)-piperidin-2-yl]ethanone
PubChem CID129368395
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name1-(1-benzofuran-2-yl)-2-[(2S)-piperidin-2-yl]ethanone
SMILESO=C(C[C@@H]1CCCCN1)c1cc2ccccc2o1
InChIInChI=1S/C15H17NO2/c17-13(10-12-6-3-4-8-16-12)15-9-11-5-1-2-7-14(11)18-15/h1-2,5,7,9,12,16H,3-4,6,8,10H2/t12-/m0/s1
InChIKeyVYEKSYRWRGGHDW-LBPRGKRZSA-N
XLogP3.15
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-1-benzofuran-2-yl)-2-pyrrolidin-2-ylethanone
CID 114736387
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1-benzofuran-2-carboxamide
CID 104955292
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1-benzofuran-2-carboxamide
CID 104972010
1-(5-methylfuran-2-yl)-2-piperidin-2-ylethanone
CID 79538933
(2R)-2-(1-benzofuran-2-ylmethyl)piperidine
CID 94859293
2-(azepan-2-yl)-1-(5-bromofuran-2-yl)ethanone
CID 104653573
1-(2-hydroxyphenyl)-2-piperidin-2-ylethanone
CID 84684796
1-(3-aminophenyl)-2-piperidin-2-ylethanone
CID 84683969
1-(1-benzofuran-2-yl)-2-cyclobutyloxyethanone
CID 62141411
1-(1-benzofuran-2-yl)-2-pyrrolidin-2-ylethanol
CID 79559824
N-(1-benzofuran-2-ylmethyl)-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119807305
1-phenyl-3-piperidin-2-ylpropan-2-one
CID 22237365

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-2-[(2S)-piperidin-2-yl]ethanone?
The IUPAC name of 1-(1-benzofuran-2-yl)-2-[(2S)-piperidin-2-yl]ethanone (CID 129368395) is 1-(1-benzofuran-2-yl)-2-[(2S)-piperidin-2-yl]ethanone.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-2-[(2S)-piperidin-2-yl]ethanone?
The canonical SMILES for 1-(1-benzofuran-2-yl)-2-[(2S)-piperidin-2-yl]ethanone is O=C(C[C@@H]1CCCCN1)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-2-[(2S)-piperidin-2-yl]ethanone?
The InChIKey is VYEKSYRWRGGHDW-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H17NO2/c17-13(10-12-6-3-4-8-16-12)15-9-11-5-1-2-7-14(11)18-15/h1-2,5,7,9,12,16H,3-4,6,8,10H2/t12-/m0/s1.
What are the key properties of 1-(1-benzofuran-2-yl)-2-[(2S)-piperidin-2-yl]ethanone?
1-(1-benzofuran-2-yl)-2-[(2S)-piperidin-2-yl]ethanone has a molecular weight of 243.31 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-2-[(2S)-piperidin-2-yl]ethanone is sourced from PubChem (CID 129368395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).