6-(6-piperidin-1-ylhexoxy)-2-pyridin-3-ylchromen-4-one

C25H30N2O3 — CID 14983049

IUPAC6-(6-piperidin-1-ylhexoxy)-2-pyridin-3-ylchromen-4-one
SMILESO=c1cc(-c2cccnc2)oc2ccc(OCCCCCCN3CCCCC3)cc12
InChIInChI=1S/C25H30N2O3/c28-23-18-25(20-9-8-12-26-19-20)30-24-11-10-21(17-22(23)24)29-16-7-2-1-4-13-27-14-5-3-6-15-27/h8-12,17-19H,1-7,13-16H2
InChIKeyCCDAXHSDQCUZEE-UHFFFAOYSA-N
MW406.53 g/mol
LogP5.28
Rot. Bonds9

About 6-(6-piperidin-1-ylhexoxy)-2-pyridin-3-ylchromen-4-one

6-(6-piperidin-1-ylhexoxy)-2-pyridin-3-ylchromen-4-one (PubChem CID 14983049) has the molecular formula C25H30N2O3 and a molecular weight of 406.53 g/mol. Its IUPAC name is 6-(6-piperidin-1-ylhexoxy)-2-pyridin-3-ylchromen-4-one.

Molecular Properties

Compound Name6-(6-piperidin-1-ylhexoxy)-2-pyridin-3-ylchromen-4-one
PubChem CID14983049
Molecular FormulaC25H30N2O3
Molecular Weight406.53 g/mol
Exact Mass406.23
IUPAC Name6-(6-piperidin-1-ylhexoxy)-2-pyridin-3-ylchromen-4-one
SMILESO=c1cc(-c2cccnc2)oc2ccc(OCCCCCCN3CCCCC3)cc12
InChIInChI=1S/C25H30N2O3/c28-23-18-25(20-9-8-12-26-19-20)30-24-11-10-21(17-22(23)24)29-16-7-2-1-4-13-27-14-5-3-6-15-27/h8-12,17-19H,1-7,13-16H2
InChIKeyCCDAXHSDQCUZEE-UHFFFAOYSA-N
XLogP5.28
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.53
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-(6-piperidin-1-ylhexoxy)-2-pyridin-3-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-piperidin-1-ylhexoxy)-2-pyridin-3-ylchromen-4-one?
The IUPAC name of 6-(6-piperidin-1-ylhexoxy)-2-pyridin-3-ylchromen-4-one (CID 14983049) is 6-(6-piperidin-1-ylhexoxy)-2-pyridin-3-ylchromen-4-one.
What is the SMILES notation for 6-(6-piperidin-1-ylhexoxy)-2-pyridin-3-ylchromen-4-one?
The canonical SMILES for 6-(6-piperidin-1-ylhexoxy)-2-pyridin-3-ylchromen-4-one is O=c1cc(-c2cccnc2)oc2ccc(OCCCCCCN3CCCCC3)cc12.
What is the InChIKey of 6-(6-piperidin-1-ylhexoxy)-2-pyridin-3-ylchromen-4-one?
The InChIKey is CCDAXHSDQCUZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O3/c28-23-18-25(20-9-8-12-26-19-20)30-24-11-10-21(17-22(23)24)29-16-7-2-1-4-13-27-14-5-3-6-15-27/h8-12,17-19H,1-7,13-16H2.
What are the key properties of 6-(6-piperidin-1-ylhexoxy)-2-pyridin-3-ylchromen-4-one?
6-(6-piperidin-1-ylhexoxy)-2-pyridin-3-ylchromen-4-one has a molecular weight of 406.53 g/mol, XLogP of 5.28, 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-pyridin-3-ylchromen-4-one is sourced from PubChem (CID 14983049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).