1-[4-(3-pyridin-4-yloxyazetidin-1-yl)piperidin-1-yl]ethanone

C15H21N3O2 — CID 154829496

IUPAC1-[4-(3-pyridin-4-yloxyazetidin-1-yl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(N2CC(Oc3ccncc3)C2)CC1
InChIInChI=1S/C15H21N3O2/c1-12(19)17-8-4-13(5-9-17)18-10-15(11-18)20-14-2-6-16-7-3-14/h2-3,6-7,13,15H,4-5,8-11H2,1H3
InChIKeyDEQBYYUYLVRTKE-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.16
Rot. Bonds3

About 1-[4-(3-pyridin-4-yloxyazetidin-1-yl)piperidin-1-yl]ethanone

1-[4-(3-pyridin-4-yloxyazetidin-1-yl)piperidin-1-yl]ethanone (PubChem CID 154829496) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-[4-(3-pyridin-4-yloxyazetidin-1-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(3-pyridin-4-yloxyazetidin-1-yl)piperidin-1-yl]ethanone
PubChem CID154829496
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-[4-(3-pyridin-4-yloxyazetidin-1-yl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(N2CC(Oc3ccncc3)C2)CC1
InChIInChI=1S/C15H21N3O2/c1-12(19)17-8-4-13(5-9-17)18-10-15(11-18)20-14-2-6-16-7-3-14/h2-3,6-7,13,15H,4-5,8-11H2,1H3
InChIKeyDEQBYYUYLVRTKE-UHFFFAOYSA-N
XLogP1.16
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclobutyl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90617078
cyclopentyl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90617330
cyclohexyl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90617385
2,2-dimethyl-1-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]propan-1-one
CID 124568628
methyl 2-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidine-1-carbonyl]benzoate
CID 90617337
2-(4-ethoxyphenoxy)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethanone
CID 90617176
2-(2-chlorophenyl)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethanone
CID 90617138
1,2-oxazol-5-yl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90617084
(2-methylsulfanylphenyl)-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90617133
2-cyclopentylsulfanyl-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethanone
CID 90617346
1-[2-oxo-2-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 90617118
1-(3-pyridin-3-yloxypyrrolidin-1-yl)ethanone
CID 59581393

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-pyridin-4-yloxyazetidin-1-yl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(3-pyridin-4-yloxyazetidin-1-yl)piperidin-1-yl]ethanone (CID 154829496) is 1-[4-(3-pyridin-4-yloxyazetidin-1-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(3-pyridin-4-yloxyazetidin-1-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(3-pyridin-4-yloxyazetidin-1-yl)piperidin-1-yl]ethanone is CC(=O)N1CCC(N2CC(Oc3ccncc3)C2)CC1.
What is the InChIKey of 1-[4-(3-pyridin-4-yloxyazetidin-1-yl)piperidin-1-yl]ethanone?
The InChIKey is DEQBYYUYLVRTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-12(19)17-8-4-13(5-9-17)18-10-15(11-18)20-14-2-6-16-7-3-14/h2-3,6-7,13,15H,4-5,8-11H2,1H3.
What are the key properties of 1-[4-(3-pyridin-4-yloxyazetidin-1-yl)piperidin-1-yl]ethanone?
1-[4-(3-pyridin-4-yloxyazetidin-1-yl)piperidin-1-yl]ethanone has a molecular weight of 275.35 g/mol, XLogP of 1.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-pyridin-4-yloxyazetidin-1-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 154829496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).