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

C25H30N2O4 — CID 14983038

IUPAC6-[6-(4-hydroxypiperidin-1-yl)hexoxy]-2-pyridin-4-ylchromen-4-one
SMILESO=c1cc(-c2ccncc2)oc2ccc(OCCCCCCN3CCC(O)CC3)cc12
InChIInChI=1S/C25H30N2O4/c28-20-9-14-27(15-10-20)13-3-1-2-4-16-30-21-5-6-24-22(17-21)23(29)18-25(31-24)19-7-11-26-12-8-19/h5-8,11-12,17-18,20,28H,1-4,9-10,13-16H2
InChIKeyGPVSHWFCGTYUGK-UHFFFAOYSA-N
MW422.53 g/mol
LogP4.25
Rot. Bonds9

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

6-[6-(4-hydroxypiperidin-1-yl)hexoxy]-2-pyridin-4-ylchromen-4-one (PubChem CID 14983038) has the molecular formula C25H30N2O4 and a molecular weight of 422.53 g/mol. Its IUPAC name is 6-[6-(4-hydroxypiperidin-1-yl)hexoxy]-2-pyridin-4-ylchromen-4-one.

Molecular Properties

Compound Name6-[6-(4-hydroxypiperidin-1-yl)hexoxy]-2-pyridin-4-ylchromen-4-one
PubChem CID14983038
Molecular FormulaC25H30N2O4
Molecular Weight422.53 g/mol
Exact Mass422.22
IUPAC Name6-[6-(4-hydroxypiperidin-1-yl)hexoxy]-2-pyridin-4-ylchromen-4-one
SMILESO=c1cc(-c2ccncc2)oc2ccc(OCCCCCCN3CCC(O)CC3)cc12
InChIInChI=1S/C25H30N2O4/c28-20-9-14-27(15-10-20)13-3-1-2-4-16-30-21-5-6-24-22(17-21)23(29)18-25(31-24)19-7-11-26-12-8-19/h5-8,11-12,17-18,20,28H,1-4,9-10,13-16H2
InChIKeyGPVSHWFCGTYUGK-UHFFFAOYSA-N
XLogP4.25
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[6-(4-hydroxypiperidin-1-yl)hexoxy]-2-pyridin-4-ylchromen-4-one?
The IUPAC name of 6-[6-(4-hydroxypiperidin-1-yl)hexoxy]-2-pyridin-4-ylchromen-4-one (CID 14983038) is 6-[6-(4-hydroxypiperidin-1-yl)hexoxy]-2-pyridin-4-ylchromen-4-one.
What is the SMILES notation for 6-[6-(4-hydroxypiperidin-1-yl)hexoxy]-2-pyridin-4-ylchromen-4-one?
The canonical SMILES for 6-[6-(4-hydroxypiperidin-1-yl)hexoxy]-2-pyridin-4-ylchromen-4-one is O=c1cc(-c2ccncc2)oc2ccc(OCCCCCCN3CCC(O)CC3)cc12.
What is the InChIKey of 6-[6-(4-hydroxypiperidin-1-yl)hexoxy]-2-pyridin-4-ylchromen-4-one?
The InChIKey is GPVSHWFCGTYUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O4/c28-20-9-14-27(15-10-20)13-3-1-2-4-16-30-21-5-6-24-22(17-21)23(29)18-25(31-24)19-7-11-26-12-8-19/h5-8,11-12,17-18,20,28H,1-4,9-10,13-16H2.
What are the key properties of 6-[6-(4-hydroxypiperidin-1-yl)hexoxy]-2-pyridin-4-ylchromen-4-one?
6-[6-(4-hydroxypiperidin-1-yl)hexoxy]-2-pyridin-4-ylchromen-4-one has a molecular weight of 422.53 g/mol, XLogP of 4.25, 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-pyridin-4-ylchromen-4-one is sourced from PubChem (CID 14983038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).