2-pyridin-3-yl-1-(4-pyridin-4-yloxypiperidin-1-yl)ethanone

C17H19N3O2 — CID 45489096

IUPAC2-pyridin-3-yl-1-(4-pyridin-4-yloxypiperidin-1-yl)ethanone
SMILESO=C(Cc1cccnc1)N1CCC(Oc2ccncc2)CC1
InChIInChI=1S/C17H19N3O2/c21-17(12-14-2-1-7-19-13-14)20-10-5-16(6-11-20)22-15-3-8-18-9-4-15/h1-4,7-9,13,16H,5-6,10-12H2
InChIKeyDYBNOOOLEQIORE-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.09
Rot. Bonds4

About 2-pyridin-3-yl-1-(4-pyridin-4-yloxypiperidin-1-yl)ethanone

2-pyridin-3-yl-1-(4-pyridin-4-yloxypiperidin-1-yl)ethanone (PubChem CID 45489096) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-pyridin-3-yl-1-(4-pyridin-4-yloxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-pyridin-3-yl-1-(4-pyridin-4-yloxypiperidin-1-yl)ethanone
PubChem CID45489096
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name2-pyridin-3-yl-1-(4-pyridin-4-yloxypiperidin-1-yl)ethanone
SMILESO=C(Cc1cccnc1)N1CCC(Oc2ccncc2)CC1
InChIInChI=1S/C17H19N3O2/c21-17(12-14-2-1-7-19-13-14)20-10-5-16(6-11-20)22-15-3-8-18-9-4-15/h1-4,7-9,13,16H,5-6,10-12H2
InChIKeyDYBNOOOLEQIORE-UHFFFAOYSA-N
XLogP2.09
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-1-(4-pyridin-4-yloxypiperidin-1-yl)ethanone?
The IUPAC name of 2-pyridin-3-yl-1-(4-pyridin-4-yloxypiperidin-1-yl)ethanone (CID 45489096) is 2-pyridin-3-yl-1-(4-pyridin-4-yloxypiperidin-1-yl)ethanone.
What is the SMILES notation for 2-pyridin-3-yl-1-(4-pyridin-4-yloxypiperidin-1-yl)ethanone?
The canonical SMILES for 2-pyridin-3-yl-1-(4-pyridin-4-yloxypiperidin-1-yl)ethanone is O=C(Cc1cccnc1)N1CCC(Oc2ccncc2)CC1.
What is the InChIKey of 2-pyridin-3-yl-1-(4-pyridin-4-yloxypiperidin-1-yl)ethanone?
The InChIKey is DYBNOOOLEQIORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c21-17(12-14-2-1-7-19-13-14)20-10-5-16(6-11-20)22-15-3-8-18-9-4-15/h1-4,7-9,13,16H,5-6,10-12H2.
What are the key properties of 2-pyridin-3-yl-1-(4-pyridin-4-yloxypiperidin-1-yl)ethanone?
2-pyridin-3-yl-1-(4-pyridin-4-yloxypiperidin-1-yl)ethanone has a molecular weight of 297.36 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-1-(4-pyridin-4-yloxypiperidin-1-yl)ethanone is sourced from PubChem (CID 45489096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).