6-(6-piperidin-1-ylhexoxy)-2-thiophen-2-ylchromen-4-one

C24H29NO3S — CID 14983048

IUPAC6-(6-piperidin-1-ylhexoxy)-2-thiophen-2-ylchromen-4-one
SMILESO=c1cc(-c2cccs2)oc2ccc(OCCCCCCN3CCCCC3)cc12
InChIInChI=1S/C24H29NO3S/c26-21-18-23(24-9-8-16-29-24)28-22-11-10-19(17-20(21)22)27-15-7-2-1-4-12-25-13-5-3-6-14-25/h8-11,16-18H,1-7,12-15H2
InChIKeyASAIZTYPKBAHRO-UHFFFAOYSA-N
MW411.57 g/mol
LogP5.95
Rot. Bonds9

About 6-(6-piperidin-1-ylhexoxy)-2-thiophen-2-ylchromen-4-one

6-(6-piperidin-1-ylhexoxy)-2-thiophen-2-ylchromen-4-one (PubChem CID 14983048) has the molecular formula C24H29NO3S and a molecular weight of 411.57 g/mol. Its IUPAC name is 6-(6-piperidin-1-ylhexoxy)-2-thiophen-2-ylchromen-4-one.

Molecular Properties

Compound Name6-(6-piperidin-1-ylhexoxy)-2-thiophen-2-ylchromen-4-one
PubChem CID14983048
Molecular FormulaC24H29NO3S
Molecular Weight411.57 g/mol
Exact Mass411.19
IUPAC Name6-(6-piperidin-1-ylhexoxy)-2-thiophen-2-ylchromen-4-one
SMILESO=c1cc(-c2cccs2)oc2ccc(OCCCCCCN3CCCCC3)cc12
InChIInChI=1S/C24H29NO3S/c26-21-18-23(24-9-8-16-29-24)28-22-11-10-19(17-20(21)22)27-15-7-2-1-4-12-25-13-5-3-6-14-25/h8-11,16-18H,1-7,12-15H2
InChIKeyASAIZTYPKBAHRO-UHFFFAOYSA-N
XLogP5.95
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.57
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-Morpholin-4-yl-8-thiophen-2-ylchromen-4-one
CID 11602076
2-Phenyl-6-(6-pyrrolidin-1-yl-hexyloxy)-chromen-4-one
CID 14982964
2-Phenyl-6-(6-piperidin-1-yl-hexyloxy)-chromen-4-one
CID 14982965
6-[6-(4-Hydroxy-piperidin-1-yl)-hexyloxy]-2-thiophen-2-yl-chromen-4-one
CID 14983028
2-Cyclopentyl-6-(6-piperidin-1-yl-hexyloxy)-chromen-4-one
CID 14983054
6-(3-Piperidin-1-ylpropoxy)chromen-4-one
CID 141195316
Chromenone VII
CID 141195342
2''-Ethoxy-5''-methoxy-2-(5-methylthienyl)chalcone
CID 25147699
(3-Dipropylamino-chroman-8-yl)-thiophen-3-yl-methanone
CID 44287238
8-(4-phenylthiophen-2-yl)-2-(piperidin-1-yl)-4H-chromen-4-one
CID 44562554
2-Piperidin-1-yl-8-(4-thiophen-3-ylthiophen-2-yl)chromen-4-one
CID 44562588
(E)-1-(5-methoxy-2-propoxyphenyl)-3-(5-methylthiophen-2-yl)prop-2-en-1-one
CID 44578761

Frequently Asked Questions

What is the IUPAC name of 6-(6-piperidin-1-ylhexoxy)-2-thiophen-2-ylchromen-4-one?
The IUPAC name of 6-(6-piperidin-1-ylhexoxy)-2-thiophen-2-ylchromen-4-one (CID 14983048) is 6-(6-piperidin-1-ylhexoxy)-2-thiophen-2-ylchromen-4-one.
What is the SMILES notation for 6-(6-piperidin-1-ylhexoxy)-2-thiophen-2-ylchromen-4-one?
The canonical SMILES for 6-(6-piperidin-1-ylhexoxy)-2-thiophen-2-ylchromen-4-one is O=c1cc(-c2cccs2)oc2ccc(OCCCCCCN3CCCCC3)cc12.
What is the InChIKey of 6-(6-piperidin-1-ylhexoxy)-2-thiophen-2-ylchromen-4-one?
The InChIKey is ASAIZTYPKBAHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO3S/c26-21-18-23(24-9-8-16-29-24)28-22-11-10-19(17-20(21)22)27-15-7-2-1-4-12-25-13-5-3-6-14-25/h8-11,16-18H,1-7,12-15H2.
What are the key properties of 6-(6-piperidin-1-ylhexoxy)-2-thiophen-2-ylchromen-4-one?
6-(6-piperidin-1-ylhexoxy)-2-thiophen-2-ylchromen-4-one has a molecular weight of 411.57 g/mol, XLogP of 5.95, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-piperidin-1-ylhexoxy)-2-thiophen-2-ylchromen-4-one is sourced from PubChem (CID 14983048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).