(5-hydroxy-2-piperidin-1-yl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone

C21H21NO4 — CID 135058545

IUPAC(5-hydroxy-2-piperidin-1-yl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2c(N3CCCCC3)oc3ccc(O)cc23)cc1
InChIInChI=1S/C21H21NO4/c1-25-16-8-5-14(6-9-16)20(24)19-17-13-15(23)7-10-18(17)26-21(19)22-11-3-2-4-12-22/h5-10,13,23H,2-4,11-12H2,1H3
InChIKeyZERUZCVJJTZHHG-UHFFFAOYSA-N
MW351.40 g/mol
LogP4.37
Rot. Bonds4

About (5-hydroxy-2-piperidin-1-yl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone

(5-hydroxy-2-piperidin-1-yl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone (PubChem CID 135058545) has the molecular formula C21H21NO4 and a molecular weight of 351.40 g/mol. Its IUPAC name is (5-hydroxy-2-piperidin-1-yl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(5-hydroxy-2-piperidin-1-yl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone
PubChem CID135058545
Molecular FormulaC21H21NO4
Molecular Weight351.40 g/mol
Exact Mass351.15
IUPAC Name(5-hydroxy-2-piperidin-1-yl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2c(N3CCCCC3)oc3ccc(O)cc23)cc1
InChIInChI=1S/C21H21NO4/c1-25-16-8-5-14(6-9-16)20(24)19-17-13-15(23)7-10-18(17)26-21(19)22-11-3-2-4-12-22/h5-10,13,23H,2-4,11-12H2,1H3
InChIKeyZERUZCVJJTZHHG-UHFFFAOYSA-N
XLogP4.37
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-hydroxy-2-piperidin-1-yl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone?
The IUPAC name of (5-hydroxy-2-piperidin-1-yl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone (CID 135058545) is (5-hydroxy-2-piperidin-1-yl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone.
What is the SMILES notation for (5-hydroxy-2-piperidin-1-yl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone?
The canonical SMILES for (5-hydroxy-2-piperidin-1-yl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2c(N3CCCCC3)oc3ccc(O)cc23)cc1.
What is the InChIKey of (5-hydroxy-2-piperidin-1-yl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone?
The InChIKey is ZERUZCVJJTZHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO4/c1-25-16-8-5-14(6-9-16)20(24)19-17-13-15(23)7-10-18(17)26-21(19)22-11-3-2-4-12-22/h5-10,13,23H,2-4,11-12H2,1H3.
What are the key properties of (5-hydroxy-2-piperidin-1-yl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone?
(5-hydroxy-2-piperidin-1-yl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone has a molecular weight of 351.40 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-hydroxy-2-piperidin-1-yl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone is sourced from PubChem (CID 135058545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).