6-[6-(4-hydroxypiperidin-1-yl)hexoxy]-2-thiophen-2-ylchromen-4-one

C24H29NO4S — CID 14983028

IUPAC6-[6-(4-hydroxypiperidin-1-yl)hexoxy]-2-thiophen-2-ylchromen-4-one
SMILESO=c1cc(-c2cccs2)oc2ccc(OCCCCCCN3CCC(O)CC3)cc12
InChIInChI=1S/C24H29NO4S/c26-18-9-12-25(13-10-18)11-3-1-2-4-14-28-19-7-8-22-20(16-19)21(27)17-23(29-22)24-6-5-15-30-24/h5-8,15-18,26H,1-4,9-14H2
InChIKeyIYZKNKNHPCKKSN-UHFFFAOYSA-N
MW427.57 g/mol
LogP4.92
Rot. Bonds9

About 6-[6-(4-hydroxypiperidin-1-yl)hexoxy]-2-thiophen-2-ylchromen-4-one

6-[6-(4-hydroxypiperidin-1-yl)hexoxy]-2-thiophen-2-ylchromen-4-one (PubChem CID 14983028) has the molecular formula C24H29NO4S and a molecular weight of 427.57 g/mol. Its IUPAC name is 6-[6-(4-hydroxypiperidin-1-yl)hexoxy]-2-thiophen-2-ylchromen-4-one.

Molecular Properties

Compound Name6-[6-(4-hydroxypiperidin-1-yl)hexoxy]-2-thiophen-2-ylchromen-4-one
PubChem CID14983028
Molecular FormulaC24H29NO4S
Molecular Weight427.57 g/mol
Exact Mass427.18
IUPAC Name6-[6-(4-hydroxypiperidin-1-yl)hexoxy]-2-thiophen-2-ylchromen-4-one
SMILESO=c1cc(-c2cccs2)oc2ccc(OCCCCCCN3CCC(O)CC3)cc12
InChIInChI=1S/C24H29NO4S/c26-18-9-12-25(13-10-18)11-3-1-2-4-14-28-19-7-8-22-20(16-19)21(27)17-23(29-22)24-6-5-15-30-24/h5-8,15-18,26H,1-4,9-14H2
InChIKeyIYZKNKNHPCKKSN-UHFFFAOYSA-N
XLogP4.92
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.57
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-[6-(4-hydroxypiperidin-1-yl)hexoxy]-2-thiophen-2-ylchromen-4-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[6-(4-hydroxypiperidin-1-yl)hexoxy]-2-thiophen-2-ylchromen-4-one?
The IUPAC name of 6-[6-(4-hydroxypiperidin-1-yl)hexoxy]-2-thiophen-2-ylchromen-4-one (CID 14983028) is 6-[6-(4-hydroxypiperidin-1-yl)hexoxy]-2-thiophen-2-ylchromen-4-one.
What is the SMILES notation for 6-[6-(4-hydroxypiperidin-1-yl)hexoxy]-2-thiophen-2-ylchromen-4-one?
The canonical SMILES for 6-[6-(4-hydroxypiperidin-1-yl)hexoxy]-2-thiophen-2-ylchromen-4-one is O=c1cc(-c2cccs2)oc2ccc(OCCCCCCN3CCC(O)CC3)cc12.
What is the InChIKey of 6-[6-(4-hydroxypiperidin-1-yl)hexoxy]-2-thiophen-2-ylchromen-4-one?
The InChIKey is IYZKNKNHPCKKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO4S/c26-18-9-12-25(13-10-18)11-3-1-2-4-14-28-19-7-8-22-20(16-19)21(27)17-23(29-22)24-6-5-15-30-24/h5-8,15-18,26H,1-4,9-14H2.
What are the key properties of 6-[6-(4-hydroxypiperidin-1-yl)hexoxy]-2-thiophen-2-ylchromen-4-one?
6-[6-(4-hydroxypiperidin-1-yl)hexoxy]-2-thiophen-2-ylchromen-4-one has a molecular weight of 427.57 g/mol, XLogP of 4.92, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(4-hydroxypiperidin-1-yl)hexoxy]-2-thiophen-2-ylchromen-4-one is sourced from PubChem (CID 14983028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).