2-(8-formyl-7-hydroxy-2,6-dimethyl-4-oxochromen-3-yl)-N-(2-piperidin-1-ylethyl)acetamide

C21H26N2O5 — CID 158654682

IUPAC2-(8-formyl-7-hydroxy-2,6-dimethyl-4-oxochromen-3-yl)-N-(2-piperidin-1-ylethyl)acetamide
SMILESCc1cc2c(=O)c(CC(=O)NCCN3CCCCC3)c(C)oc2c(C=O)c1O
InChIInChI=1S/C21H26N2O5/c1-13-10-16-20(27)15(14(2)28-21(16)17(12-24)19(13)26)11-18(25)22-6-9-23-7-4-3-5-8-23/h10,12,26H,3-9,11H2,1-2H3,(H,22,25)
InChIKeyOPKAIOVKNVGKEF-UHFFFAOYSA-N
MW386.45 g/mol
LogP2.07
Rot. Bonds6

About 2-(8-formyl-7-hydroxy-2,6-dimethyl-4-oxochromen-3-yl)-N-(2-piperidin-1-ylethyl)acetamide

2-(8-formyl-7-hydroxy-2,6-dimethyl-4-oxochromen-3-yl)-N-(2-piperidin-1-ylethyl)acetamide (PubChem CID 158654682) has the molecular formula C21H26N2O5 and a molecular weight of 386.45 g/mol. Its IUPAC name is 2-(8-formyl-7-hydroxy-2,6-dimethyl-4-oxochromen-3-yl)-N-(2-piperidin-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-(8-formyl-7-hydroxy-2,6-dimethyl-4-oxochromen-3-yl)-N-(2-piperidin-1-ylethyl)acetamide
PubChem CID158654682
Molecular FormulaC21H26N2O5
Molecular Weight386.45 g/mol
Exact Mass386.18
IUPAC Name2-(8-formyl-7-hydroxy-2,6-dimethyl-4-oxochromen-3-yl)-N-(2-piperidin-1-ylethyl)acetamide
SMILESCc1cc2c(=O)c(CC(=O)NCCN3CCCCC3)c(C)oc2c(C=O)c1O
InChIInChI=1S/C21H26N2O5/c1-13-10-16-20(27)15(14(2)28-21(16)17(12-24)19(13)26)11-18(25)22-6-9-23-7-4-3-5-8-23/h10,12,26H,3-9,11H2,1-2H3,(H,22,25)
InChIKeyOPKAIOVKNVGKEF-UHFFFAOYSA-N
XLogP2.07
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-(8-formyl-7-hydroxy-6-methoxy-2-methyl-4-oxochromen-3-yl)-N-(2-morpholin-4-ylethyl)propanamide;3-(8-formyl-7-hydroxy-2-methyl-4-oxochromen-3-yl)-N-(2-morpholin-4-ylethyl)propanamide;7-hydroxy-2,6-dimethyl-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxochromene-8-carbaldehyde;7-hydroxy-6-methoxy-2-methyl-3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-4-oxochromene-8-carbaldehyde;7-hydroxy-2-methyl-3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-4-oxochromene-8-carbaldehyde
CID 165074007
7-hydroxy-2-methyl-4-oxo-3-(3-oxo-6-piperidin-1-ylhexyl)chromene-8-carbaldehyde
CID 159501939
2-[8-formyl-7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxochromen-3-yl]-N-(2-methoxyethyl)acetamide;2-[8-formyl-7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxochromen-3-yl]-N-(2-piperidin-1-ylethyl)acetamide;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2-oxochromene-8-carbaldehyde;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-oxochromene-8-carbaldehyde;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxo-3-(3-oxoheptyl)chromene-8-carbaldehyde;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxo-3-(3-oxohexyl)chromene-8-carbaldehyde;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)chromene-8-carbaldehyde;7-hydroxy-6-(2-methoxyethoxy)-4-methyl-2-oxo-3-(3-oxo-6-piperidin-1-ylhexyl)chromene-8-carbaldehyde
CID 159340076
4-ethyl-7-hydroxy-6-methyl-2-oxo-3-(3-oxo-3-piperidin-1-ylpropyl)chromene-8-carbaldehyde
CID 158803043
2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 6228876
2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 6225544
2-(5-formyl-2,4-dimethyl-1H-pyrrol-3-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 21071886
3,4-dimethyl-N-(2-piperidin-1-ylethyl)benzamide
CID 25237097
1,2,5-trimethyl-N-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide
CID 125144865
2-phenyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 975347
2-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 4974013
7-hydroxy-6-methoxy-2-methyl-3-[4-(4-morpholin-4-ylbutanoyl)phenyl]-4-oxochromene-8-carbaldehyde
CID 157245927

Frequently Asked Questions

What is the IUPAC name of 2-(8-formyl-7-hydroxy-2,6-dimethyl-4-oxochromen-3-yl)-N-(2-piperidin-1-ylethyl)acetamide?
The IUPAC name of 2-(8-formyl-7-hydroxy-2,6-dimethyl-4-oxochromen-3-yl)-N-(2-piperidin-1-ylethyl)acetamide (CID 158654682) is 2-(8-formyl-7-hydroxy-2,6-dimethyl-4-oxochromen-3-yl)-N-(2-piperidin-1-ylethyl)acetamide.
What is the SMILES notation for 2-(8-formyl-7-hydroxy-2,6-dimethyl-4-oxochromen-3-yl)-N-(2-piperidin-1-ylethyl)acetamide?
The canonical SMILES for 2-(8-formyl-7-hydroxy-2,6-dimethyl-4-oxochromen-3-yl)-N-(2-piperidin-1-ylethyl)acetamide is Cc1cc2c(=O)c(CC(=O)NCCN3CCCCC3)c(C)oc2c(C=O)c1O.
What is the InChIKey of 2-(8-formyl-7-hydroxy-2,6-dimethyl-4-oxochromen-3-yl)-N-(2-piperidin-1-ylethyl)acetamide?
The InChIKey is OPKAIOVKNVGKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5/c1-13-10-16-20(27)15(14(2)28-21(16)17(12-24)19(13)26)11-18(25)22-6-9-23-7-4-3-5-8-23/h10,12,26H,3-9,11H2,1-2H3,(H,22,25).
What are the key properties of 2-(8-formyl-7-hydroxy-2,6-dimethyl-4-oxochromen-3-yl)-N-(2-piperidin-1-ylethyl)acetamide?
2-(8-formyl-7-hydroxy-2,6-dimethyl-4-oxochromen-3-yl)-N-(2-piperidin-1-ylethyl)acetamide has a molecular weight of 386.45 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-formyl-7-hydroxy-2,6-dimethyl-4-oxochromen-3-yl)-N-(2-piperidin-1-ylethyl)acetamide is sourced from PubChem (CID 158654682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).