5-[5-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-one

C29H33N3O3 — CID 91008901

IUPAC5-[5-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-one
SMILESO=C1CCc2cc(-c3cc(C4CCN(CCN5CCOCC5)CC4)oc3-c3ccncc3)ccc21
InChIInChI=1S/C29H33N3O3/c33-27-4-2-23-19-24(1-3-25(23)27)26-20-28(35-29(26)22-5-9-30-10-6-22)21-7-11-31(12-8-21)13-14-32-15-17-34-18-16-32/h1,3,5-6,9-10,19-21H,2,4,7-8,11-18H2
InChIKeyXZSOQCTWRWUICL-UHFFFAOYSA-N
MW471.60 g/mol
LogP4.65
Rot. Bonds6

About 5-[5-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-one

5-[5-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-one (PubChem CID 91008901) has the molecular formula C29H33N3O3 and a molecular weight of 471.60 g/mol. Its IUPAC name is 5-[5-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name5-[5-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-one
PubChem CID91008901
Molecular FormulaC29H33N3O3
Molecular Weight471.60 g/mol
Exact Mass471.25
IUPAC Name5-[5-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-one
SMILESO=C1CCc2cc(-c3cc(C4CCN(CCN5CCOCC5)CC4)oc3-c3ccncc3)ccc21
InChIInChI=1S/C29H33N3O3/c33-27-4-2-23-19-24(1-3-25(23)27)26-20-28(35-29(26)22-5-9-30-10-6-22)21-7-11-31(12-8-21)13-14-32-15-17-34-18-16-32/h1,3,5-6,9-10,19-21H,2,4,7-8,11-18H2
InChIKeyXZSOQCTWRWUICL-UHFFFAOYSA-N
XLogP4.65
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.60
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-one?
The IUPAC name of 5-[5-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-one (CID 91008901) is 5-[5-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-one.
What is the SMILES notation for 5-[5-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-one?
The canonical SMILES for 5-[5-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-one is O=C1CCc2cc(-c3cc(C4CCN(CCN5CCOCC5)CC4)oc3-c3ccncc3)ccc21.
What is the InChIKey of 5-[5-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-one?
The InChIKey is XZSOQCTWRWUICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O3/c33-27-4-2-23-19-24(1-3-25(23)27)26-20-28(35-29(26)22-5-9-30-10-6-22)21-7-11-31(12-8-21)13-14-32-15-17-34-18-16-32/h1,3,5-6,9-10,19-21H,2,4,7-8,11-18H2.
What are the key properties of 5-[5-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-one?
5-[5-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-one has a molecular weight of 471.60 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-one is sourced from PubChem (CID 91008901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).