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

C25H30N2O3 — CID 14983050

IUPAC6-(6-piperidin-1-ylhexoxy)-2-pyridin-4-ylchromen-4-one
SMILESO=c1cc(-c2ccncc2)oc2ccc(OCCCCCCN3CCCCC3)cc12
InChIInChI=1S/C25H30N2O3/c28-23-19-25(20-10-12-26-13-11-20)30-24-9-8-21(18-22(23)24)29-17-7-2-1-4-14-27-15-5-3-6-16-27/h8-13,18-19H,1-7,14-17H2
InChIKeyADPUUXSSYIILOK-UHFFFAOYSA-N
MW406.53 g/mol
LogP5.28
Rot. Bonds9

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

6-(6-piperidin-1-ylhexoxy)-2-pyridin-4-ylchromen-4-one (PubChem CID 14983050) 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-4-ylchromen-4-one.

Molecular Properties

Compound Name6-(6-piperidin-1-ylhexoxy)-2-pyridin-4-ylchromen-4-one
PubChem CID14983050
Molecular FormulaC25H30N2O3
Molecular Weight406.53 g/mol
Exact Mass406.23
IUPAC Name6-(6-piperidin-1-ylhexoxy)-2-pyridin-4-ylchromen-4-one
SMILESO=c1cc(-c2ccncc2)oc2ccc(OCCCCCCN3CCCCC3)cc12
InChIInChI=1S/C25H30N2O3/c28-23-19-25(20-10-12-26-13-11-20)30-24-9-8-21(18-22(23)24)29-17-7-2-1-4-14-27-15-5-3-6-16-27/h8-13,18-19H,1-7,14-17H2
InChIKeyADPUUXSSYIILOK-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'}

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Related Compounds

2-cyclobutyl-6-(6-piperidin-1-ylhexoxy)chromen-4-one;hydrochloride
CID 67691234
2-(3,4-dimethoxyphenyl)-7-(8-pyrrolidin-1-yloctoxy)chromen-4-one
CID 127036654
2,6-bis(3-piperidin-1-ylpropoxy)xanthen-9-one
CID 57439571
6-chloro-2-(6-piperidin-1-ylhexoxy)xanthen-9-one
CID 162675540
3-[1-[6-(4-oxo-2-phenylchromen-6-yl)oxyhexyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 14982983
1,3-dimethyl-6-[4-[3-(4-oxo-2-phenylchromen-6-yl)oxypropyl]piperazin-1-yl]pyrimidine-2,4-dione
CID 19898763
5-methoxy-2-[4-(3-piperidin-1-ylpropoxy)phenyl]chromen-4-one
CID 147416054
1-[3-[7-[3-(azetidin-1-yl)propoxy]dibenzofuran-2-yl]oxypropyl]azetidine
CID 57439391
6-(3-bromopropoxy)-2-phenylchromen-4-one
CID 139992556
6-(5-morpholin-4-ylpentoxy)chromen-4-one
CID 162664969
6-[6-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]hexoxy]-2-thiophen-2-ylchromen-4-one;hydrochloride
CID 18959730
2-(4-butoxyphenyl)-6-methoxychromen-4-one
CID 132609984

Frequently Asked Questions

What is the IUPAC name of 6-(6-piperidin-1-ylhexoxy)-2-pyridin-4-ylchromen-4-one?
The IUPAC name of 6-(6-piperidin-1-ylhexoxy)-2-pyridin-4-ylchromen-4-one (CID 14983050) is 6-(6-piperidin-1-ylhexoxy)-2-pyridin-4-ylchromen-4-one.
What is the SMILES notation for 6-(6-piperidin-1-ylhexoxy)-2-pyridin-4-ylchromen-4-one?
The canonical SMILES for 6-(6-piperidin-1-ylhexoxy)-2-pyridin-4-ylchromen-4-one is O=c1cc(-c2ccncc2)oc2ccc(OCCCCCCN3CCCCC3)cc12.
What is the InChIKey of 6-(6-piperidin-1-ylhexoxy)-2-pyridin-4-ylchromen-4-one?
The InChIKey is ADPUUXSSYIILOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O3/c28-23-19-25(20-10-12-26-13-11-20)30-24-9-8-21(18-22(23)24)29-17-7-2-1-4-14-27-15-5-3-6-16-27/h8-13,18-19H,1-7,14-17H2.
What are the key properties of 6-(6-piperidin-1-ylhexoxy)-2-pyridin-4-ylchromen-4-one?
6-(6-piperidin-1-ylhexoxy)-2-pyridin-4-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-4-ylchromen-4-one is sourced from PubChem (CID 14983050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).