1-[(8-hydroxy-6-oxo-[1]benzofuro[3,2-c]chromen-7-yl)methyl]piperidin-2-one

C21H17NO5 — CID 155568635

IUPAC1-[(8-hydroxy-6-oxo-[1]benzofuro[3,2-c]chromen-7-yl)methyl]piperidin-2-one
SMILESO=C1CCCCN1Cc1c(O)ccc2oc3c4ccccc4oc(=O)c3c12
InChIInChI=1S/C21H17NO5/c23-14-8-9-16-18(13(14)11-22-10-4-3-7-17(22)24)19-20(26-16)12-5-1-2-6-15(12)27-21(19)25/h1-2,5-6,8-9,23H,3-4,7,10-11H2
InChIKeyQQVMPEHAGYGZFU-UHFFFAOYSA-N
MW363.37 g/mol
LogP3.91
Rot. Bonds2

About 1-[(8-hydroxy-6-oxo-[1]benzofuro[3,2-c]chromen-7-yl)methyl]piperidin-2-one

1-[(8-hydroxy-6-oxo-[1]benzofuro[3,2-c]chromen-7-yl)methyl]piperidin-2-one (PubChem CID 155568635) has the molecular formula C21H17NO5 and a molecular weight of 363.37 g/mol. Its IUPAC name is 1-[(8-hydroxy-6-oxo-[1]benzofuro[3,2-c]chromen-7-yl)methyl]piperidin-2-one.

Molecular Properties

Compound Name1-[(8-hydroxy-6-oxo-[1]benzofuro[3,2-c]chromen-7-yl)methyl]piperidin-2-one
PubChem CID155568635
Molecular FormulaC21H17NO5
Molecular Weight363.37 g/mol
Exact Mass363.11
IUPAC Name1-[(8-hydroxy-6-oxo-[1]benzofuro[3,2-c]chromen-7-yl)methyl]piperidin-2-one
SMILESO=C1CCCCN1Cc1c(O)ccc2oc3c4ccccc4oc(=O)c3c12
InChIInChI=1S/C21H17NO5/c23-14-8-9-16-18(13(14)11-22-10-4-3-7-17(22)24)19-20(26-16)12-5-1-2-6-15(12)27-21(19)25/h1-2,5-6,8-9,23H,3-4,7,10-11H2
InChIKeyQQVMPEHAGYGZFU-UHFFFAOYSA-N
XLogP3.91
TPSA83.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

1-[(8-hydroxy-6-oxo-[1]benzofuro[3,2-c]chromen-7-yl)methyl]azepan-2-one
CID 155564660
8-hydroxy-7-[(3-methylpiperidin-1-yl)methyl]-[1]benzofuro[3,2-c]chromen-6-one
CID 155558033
3-[(2-oxoazepan-1-yl)methyl]-1-benzofuran-2-carboxylic acid
CID 28943253
8-hydroxy-9-(piperidin-1-ylmethyl)-[1]benzofuro[3,2-c]chromen-6-one
CID 155511467
8-hydroxy-7-(piperidin-1-ylmethyl)-5H-[1]benzofuro[3,2-c]quinolin-6-one
CID 162659883
1-[(2,3-dihydroxyphenyl)methyl]azepan-2-one
CID 134821259
N'-(2-dibenzofuran-2-yloxyacetyl)-2-(2-oxoazepan-1-yl)acetohydrazide
CID 9218916
8-bromo-[1]benzofuro[3,2-c]chromen-6-one
CID 132544838
4-amino-3-(piperidin-1-ylmethyl)chromen-2-one
CID 2754629
4-hydroxy-3-[(4-phenylpiperazin-1-yl)methyl]chromen-2-one
CID 54721006
1-[(2-hydroxy-3-methylphenyl)methyl]azepan-2-one
CID 71504914
1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methyl-3-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea
CID 78892865

Frequently Asked Questions

What is the IUPAC name of 1-[(8-hydroxy-6-oxo-[1]benzofuro[3,2-c]chromen-7-yl)methyl]piperidin-2-one?
The IUPAC name of 1-[(8-hydroxy-6-oxo-[1]benzofuro[3,2-c]chromen-7-yl)methyl]piperidin-2-one (CID 155568635) is 1-[(8-hydroxy-6-oxo-[1]benzofuro[3,2-c]chromen-7-yl)methyl]piperidin-2-one.
What is the SMILES notation for 1-[(8-hydroxy-6-oxo-[1]benzofuro[3,2-c]chromen-7-yl)methyl]piperidin-2-one?
The canonical SMILES for 1-[(8-hydroxy-6-oxo-[1]benzofuro[3,2-c]chromen-7-yl)methyl]piperidin-2-one is O=C1CCCCN1Cc1c(O)ccc2oc3c4ccccc4oc(=O)c3c12.
What is the InChIKey of 1-[(8-hydroxy-6-oxo-[1]benzofuro[3,2-c]chromen-7-yl)methyl]piperidin-2-one?
The InChIKey is QQVMPEHAGYGZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO5/c23-14-8-9-16-18(13(14)11-22-10-4-3-7-17(22)24)19-20(26-16)12-5-1-2-6-15(12)27-21(19)25/h1-2,5-6,8-9,23H,3-4,7,10-11H2.
What are the key properties of 1-[(8-hydroxy-6-oxo-[1]benzofuro[3,2-c]chromen-7-yl)methyl]piperidin-2-one?
1-[(8-hydroxy-6-oxo-[1]benzofuro[3,2-c]chromen-7-yl)methyl]piperidin-2-one has a molecular weight of 363.37 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(8-hydroxy-6-oxo-[1]benzofuro[3,2-c]chromen-7-yl)methyl]piperidin-2-one is sourced from PubChem (CID 155568635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).