1-(1-benzofuran-2-yl)-3-phenyl-2-piperidin-1-ylpropan-1-one

C22H23NO2 — CID 3530712

IUPAC1-(1-benzofuran-2-yl)-3-phenyl-2-piperidin-1-ylpropan-1-one
SMILESO=C(c1cc2ccccc2o1)C(Cc1ccccc1)N1CCCCC1
InChIInChI=1S/C22H23NO2/c24-22(21-16-18-11-5-6-12-20(18)25-21)19(23-13-7-2-8-14-23)15-17-9-3-1-4-10-17/h1,3-6,9-12,16,19H,2,7-8,13-15H2
InChIKeyDOCXWYDRIZSBRT-UHFFFAOYSA-N
MW333.43 g/mol
LogP4.71
Rot. Bonds5

About 1-(1-benzofuran-2-yl)-3-phenyl-2-piperidin-1-ylpropan-1-one

1-(1-benzofuran-2-yl)-3-phenyl-2-piperidin-1-ylpropan-1-one (PubChem CID 3530712) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-3-phenyl-2-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-3-phenyl-2-piperidin-1-ylpropan-1-one
PubChem CID3530712
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC Name1-(1-benzofuran-2-yl)-3-phenyl-2-piperidin-1-ylpropan-1-one
SMILESO=C(c1cc2ccccc2o1)C(Cc1ccccc1)N1CCCCC1
InChIInChI=1S/C22H23NO2/c24-22(21-16-18-11-5-6-12-20(18)25-21)19(23-13-7-2-8-14-23)15-17-9-3-1-4-10-17/h1,3-6,9-12,16,19H,2,7-8,13-15H2
InChIKeyDOCXWYDRIZSBRT-UHFFFAOYSA-N
XLogP4.71
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(4-fluorophenyl)-3-phenyl-2-piperidin-1-ylpropan-1-one
CID 2502673
methyl 3-phenyl-2-pyrrolidin-1-ylpropanoate
CID 20833938
2-amino-1-(1-benzofuran-2-yl)pent-4-yn-1-one
CID 114737293
3-(1H-indol-2-yl)-1-phenyl-2-piperidin-1-ylpropan-1-one
CID 70630041
2-(azepan-1-yl)-2-(1-benzofuran-2-yl)ethanamine
CID 63897883
(2R)-2-morpholin-4-yl-1,3-diphenylpropan-1-one
CID 7000195
1-(1-benzofuran-2-yl)-2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]ethanone
CID 110828646
N-[(2S)-1-oxo-1-[[(2R)-1-phenylpropan-2-yl]amino]-5-piperidin-1-ylpentan-2-yl]-1-benzofuran-2-carboxamide
CID 72548585
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide
CID 2571311
3-(4-methoxyphenyl)-2-piperidin-1-ylpropanoic acid
CID 82091210
[1-(aminomethyl)cyclobutyl]-(1-benzofuran-2-yl)methanone
CID 114737161
1-[2-(1-benzofuran-2-yl)-2-oxoethyl]azepan-2-one
CID 62025543

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-3-phenyl-2-piperidin-1-ylpropan-1-one?
The IUPAC name of 1-(1-benzofuran-2-yl)-3-phenyl-2-piperidin-1-ylpropan-1-one (CID 3530712) is 1-(1-benzofuran-2-yl)-3-phenyl-2-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-3-phenyl-2-piperidin-1-ylpropan-1-one?
The canonical SMILES for 1-(1-benzofuran-2-yl)-3-phenyl-2-piperidin-1-ylpropan-1-one is O=C(c1cc2ccccc2o1)C(Cc1ccccc1)N1CCCCC1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-3-phenyl-2-piperidin-1-ylpropan-1-one?
The InChIKey is DOCXWYDRIZSBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2/c24-22(21-16-18-11-5-6-12-20(18)25-21)19(23-13-7-2-8-14-23)15-17-9-3-1-4-10-17/h1,3-6,9-12,16,19H,2,7-8,13-15H2.
What are the key properties of 1-(1-benzofuran-2-yl)-3-phenyl-2-piperidin-1-ylpropan-1-one?
1-(1-benzofuran-2-yl)-3-phenyl-2-piperidin-1-ylpropan-1-one has a molecular weight of 333.43 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-3-phenyl-2-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 3530712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).