7-hydroxy-2-methyl-4-oxo-3-(3-oxo-6-piperidin-1-ylhexyl)chromene-8-carbaldehyde

C22H27NO5 — CID 159501939

IUPAC7-hydroxy-2-methyl-4-oxo-3-(3-oxo-6-piperidin-1-ylhexyl)chromene-8-carbaldehyde
SMILESCc1oc2c(C=O)c(O)ccc2c(=O)c1CCC(=O)CCCN1CCCCC1
InChIInChI=1S/C22H27NO5/c1-15-17(8-7-16(25)6-5-13-23-11-3-2-4-12-23)21(27)18-9-10-20(26)19(14-24)22(18)28-15/h9-10,14,26H,2-8,11-13H2,1H3
InChIKeyFJKOSCDNJKAMOM-UHFFFAOYSA-N
MW385.46 g/mol
LogP3.39
Rot. Bonds8

About 7-hydroxy-2-methyl-4-oxo-3-(3-oxo-6-piperidin-1-ylhexyl)chromene-8-carbaldehyde

7-hydroxy-2-methyl-4-oxo-3-(3-oxo-6-piperidin-1-ylhexyl)chromene-8-carbaldehyde (PubChem CID 159501939) has the molecular formula C22H27NO5 and a molecular weight of 385.46 g/mol. Its IUPAC name is 7-hydroxy-2-methyl-4-oxo-3-(3-oxo-6-piperidin-1-ylhexyl)chromene-8-carbaldehyde.

Molecular Properties

Compound Name7-hydroxy-2-methyl-4-oxo-3-(3-oxo-6-piperidin-1-ylhexyl)chromene-8-carbaldehyde
PubChem CID159501939
Molecular FormulaC22H27NO5
Molecular Weight385.46 g/mol
Exact Mass385.19
IUPAC Name7-hydroxy-2-methyl-4-oxo-3-(3-oxo-6-piperidin-1-ylhexyl)chromene-8-carbaldehyde
SMILESCc1oc2c(C=O)c(O)ccc2c(=O)c1CCC(=O)CCCN1CCCCC1
InChIInChI=1S/C22H27NO5/c1-15-17(8-7-16(25)6-5-13-23-11-3-2-4-12-23)21(27)18-9-10-20(26)19(14-24)22(18)28-15/h9-10,14,26H,2-8,11-13H2,1H3
InChIKeyFJKOSCDNJKAMOM-UHFFFAOYSA-N
XLogP3.39
TPSA87.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 7-hydroxy-2-methyl-4-oxo-3-(3-oxo-6-piperidin-1-ylhexyl)chromene-8-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-hydroxy-5-methoxy-4-methyl-2-oxo-3-(3-oxo-6-piperidin-1-ylhexyl)chromene-8-carbaldehyde
CID 158554120
2-(8-formyl-7-hydroxy-2,6-dimethyl-4-oxochromen-3-yl)-N-(2-piperidin-1-ylethyl)acetamide
CID 158654682
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
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
7-hydroxy-3-methyl-2-phenyl-8-(piperidin-1-ylmethyl)chromen-4-one
CID 5361797
7-hydroxy-2-methyl-3-phenyl-8-(piperidin-1-ylmethyl)chromen-4-one
CID 5361809
3-bromo-7-hydroxy-4-methyl-2-oxochromene-8-carbaldehyde
CID 24799272
7-hydroxy-6-methoxy-2-methyl-3-[4-(4-morpholin-4-ylbutanoyl)phenyl]-4-oxochromene-8-carbaldehyde
CID 157245927
3-piperidin-1-ylpropyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
CID 13324430
4-ethyl-7-hydroxy-6-methyl-2-oxo-3-(3-oxo-3-piperidin-1-ylpropyl)chromene-8-carbaldehyde
CID 158803043
6-piperidin-1-ylhexan-3-one;hydrochloride
CID 175565932
7-hydroxy-2-(4-methoxyphenyl)-3-methyl-4-oxochromene-8-carbaldehyde
CID 46236305

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2-methyl-4-oxo-3-(3-oxo-6-piperidin-1-ylhexyl)chromene-8-carbaldehyde?
The IUPAC name of 7-hydroxy-2-methyl-4-oxo-3-(3-oxo-6-piperidin-1-ylhexyl)chromene-8-carbaldehyde (CID 159501939) is 7-hydroxy-2-methyl-4-oxo-3-(3-oxo-6-piperidin-1-ylhexyl)chromene-8-carbaldehyde.
What is the SMILES notation for 7-hydroxy-2-methyl-4-oxo-3-(3-oxo-6-piperidin-1-ylhexyl)chromene-8-carbaldehyde?
The canonical SMILES for 7-hydroxy-2-methyl-4-oxo-3-(3-oxo-6-piperidin-1-ylhexyl)chromene-8-carbaldehyde is Cc1oc2c(C=O)c(O)ccc2c(=O)c1CCC(=O)CCCN1CCCCC1.
What is the InChIKey of 7-hydroxy-2-methyl-4-oxo-3-(3-oxo-6-piperidin-1-ylhexyl)chromene-8-carbaldehyde?
The InChIKey is FJKOSCDNJKAMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO5/c1-15-17(8-7-16(25)6-5-13-23-11-3-2-4-12-23)21(27)18-9-10-20(26)19(14-24)22(18)28-15/h9-10,14,26H,2-8,11-13H2,1H3.
What are the key properties of 7-hydroxy-2-methyl-4-oxo-3-(3-oxo-6-piperidin-1-ylhexyl)chromene-8-carbaldehyde?
7-hydroxy-2-methyl-4-oxo-3-(3-oxo-6-piperidin-1-ylhexyl)chromene-8-carbaldehyde has a molecular weight of 385.46 g/mol, XLogP of 3.39, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2-methyl-4-oxo-3-(3-oxo-6-piperidin-1-ylhexyl)chromene-8-carbaldehyde is sourced from PubChem (CID 159501939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).