(5-hydroxy-2-methyl-1-benzofuran-3-yl)-piperidin-1-ylmethanone

C15H17NO3 — CID 800802

IUPAC(5-hydroxy-2-methyl-1-benzofuran-3-yl)-piperidin-1-ylmethanone
SMILESCc1oc2ccc(O)cc2c1C(=O)N1CCCCC1
InChIInChI=1S/C15H17NO3/c1-10-14(15(18)16-7-3-2-4-8-16)12-9-11(17)5-6-13(12)19-10/h5-6,9,17H,2-4,7-8H2,1H3
InChIKeyYQWJLAUBOZTYOE-UHFFFAOYSA-N
MW259.30 g/mol
LogP3.07
Rot. Bonds1

About (5-hydroxy-2-methyl-1-benzofuran-3-yl)-piperidin-1-ylmethanone

(5-hydroxy-2-methyl-1-benzofuran-3-yl)-piperidin-1-ylmethanone (PubChem CID 800802) has the molecular formula C15H17NO3 and a molecular weight of 259.30 g/mol. Its IUPAC name is (5-hydroxy-2-methyl-1-benzofuran-3-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(5-hydroxy-2-methyl-1-benzofuran-3-yl)-piperidin-1-ylmethanone
PubChem CID800802
Molecular FormulaC15H17NO3
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC Name(5-hydroxy-2-methyl-1-benzofuran-3-yl)-piperidin-1-ylmethanone
SMILESCc1oc2ccc(O)cc2c1C(=O)N1CCCCC1
InChIInChI=1S/C15H17NO3/c1-10-14(15(18)16-7-3-2-4-8-16)12-9-11(17)5-6-13(12)19-10/h5-6,9,17H,2-4,7-8H2,1H3
InChIKeyYQWJLAUBOZTYOE-UHFFFAOYSA-N
XLogP3.07
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methyl-1-benzofuran-3-yl)-piperidin-1-ylmethanone
CID 110703112
5-hydroxy-2-methyl-N-(1-methylpiperidin-4-yl)-1-benzofuran-3-carboxamide
CID 163380246
5-(azepane-1-carbonyl)-4,6-dimethylpyran-2-one
CID 918943
ethane;ethyl 5-hydroxy-2-methyl-1-benzofuran-3-carboxylate
CID 170599419
6-hydroxy-4-methyl-3-[(4R)-4-phenylazepane-1-carbonyl]chromen-2-one
CID 99707180
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide
CID 46963956
(5-hydroxy-2-methyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone
CID 877207
6-hydroxy-2-methyl-1-benzofuran-3-carboxylic acid
CID 22143529
1-(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)-1,4-diazepan-5-one
CID 56821206
(5-hydroxy-2-piperidin-1-yl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone
CID 135058545
(5-methoxy-2-methyl-1-benzofuran-3-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 589845
(2S)-2-[4-(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)piperazin-1-yl]propanamide
CID 95346522

Frequently Asked Questions

What is the IUPAC name of (5-hydroxy-2-methyl-1-benzofuran-3-yl)-piperidin-1-ylmethanone?
The IUPAC name of (5-hydroxy-2-methyl-1-benzofuran-3-yl)-piperidin-1-ylmethanone (CID 800802) is (5-hydroxy-2-methyl-1-benzofuran-3-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (5-hydroxy-2-methyl-1-benzofuran-3-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (5-hydroxy-2-methyl-1-benzofuran-3-yl)-piperidin-1-ylmethanone is Cc1oc2ccc(O)cc2c1C(=O)N1CCCCC1.
What is the InChIKey of (5-hydroxy-2-methyl-1-benzofuran-3-yl)-piperidin-1-ylmethanone?
The InChIKey is YQWJLAUBOZTYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-10-14(15(18)16-7-3-2-4-8-16)12-9-11(17)5-6-13(12)19-10/h5-6,9,17H,2-4,7-8H2,1H3.
What are the key properties of (5-hydroxy-2-methyl-1-benzofuran-3-yl)-piperidin-1-ylmethanone?
(5-hydroxy-2-methyl-1-benzofuran-3-yl)-piperidin-1-ylmethanone has a molecular weight of 259.30 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-hydroxy-2-methyl-1-benzofuran-3-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 800802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).