(2,5-dimethylfuran-3-yl)-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]methanone

C16H19N3O3 — CID 100638902

IUPAC(2,5-dimethylfuran-3-yl)-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCC[C@@H](Oc3cccnn3)C2)c(C)o1
InChIInChI=1S/C16H19N3O3/c1-11-9-14(12(2)21-11)16(20)19-8-4-5-13(10-19)22-15-6-3-7-17-18-15/h3,6-7,9,13H,4-5,8,10H2,1-2H3/t13-/m1/s1
InChIKeyFVYAVKHUZSSBHP-CYBMUJFWSA-N
MW301.35 g/mol
LogP2.37
Rot. Bonds3

About (2,5-dimethylfuran-3-yl)-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]methanone

(2,5-dimethylfuran-3-yl)-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]methanone (PubChem CID 100638902) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is (2,5-dimethylfuran-3-yl)-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethylfuran-3-yl)-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]methanone
PubChem CID100638902
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name(2,5-dimethylfuran-3-yl)-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCC[C@@H](Oc3cccnn3)C2)c(C)o1
InChIInChI=1S/C16H19N3O3/c1-11-9-14(12(2)21-11)16(20)19-8-4-5-13(10-19)22-15-6-3-7-17-18-15/h3,6-7,9,13H,4-5,8,10H2,1-2H3/t13-/m1/s1
InChIKeyFVYAVKHUZSSBHP-CYBMUJFWSA-N
XLogP2.37
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2,5-dimethylfuran-3-yl)-(3-pyridazin-3-yloxypiperidin-1-yl)methanone
CID 91627673
(2,5-dimethylfuran-3-yl)-[(3R)-3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone
CID 100641925
(4-methylphenyl)-[(3S)-3-pyridazin-3-yloxypiperidin-1-yl]methanone
CID 100638429
furan-3-yl-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]methanone
CID 100639672
(3-methoxy-1-methylpyrazol-4-yl)-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]methanone
CID 100639162
[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 122243487
(2,4-dimethyl-1,3-thiazol-5-yl)-(3-pyridazin-3-yloxypiperidin-1-yl)methanone
CID 91627672
(2,5-dimethylfuran-3-yl)-[(3R)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone
CID 129416387
1-[4-[(3R)-3-pyridazin-3-yloxypiperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 100638372
(5-methoxy-1-benzofuran-2-yl)-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone
CID 100624023
5-(3-pyridazin-3-yloxypiperidine-1-carbonyl)-1H-pyridin-2-one
CID 91627644
2-cyclopentyl-1-[(3S)-3-pyridazin-3-yloxypiperidin-1-yl]ethanone
CID 100638394

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylfuran-3-yl)-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]methanone?
The IUPAC name of (2,5-dimethylfuran-3-yl)-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]methanone (CID 100638902) is (2,5-dimethylfuran-3-yl)-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]methanone.
What is the SMILES notation for (2,5-dimethylfuran-3-yl)-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]methanone?
The canonical SMILES for (2,5-dimethylfuran-3-yl)-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]methanone is Cc1cc(C(=O)N2CCC[C@@H](Oc3cccnn3)C2)c(C)o1.
What is the InChIKey of (2,5-dimethylfuran-3-yl)-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]methanone?
The InChIKey is FVYAVKHUZSSBHP-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-11-9-14(12(2)21-11)16(20)19-8-4-5-13(10-19)22-15-6-3-7-17-18-15/h3,6-7,9,13H,4-5,8,10H2,1-2H3/t13-/m1/s1.
What are the key properties of (2,5-dimethylfuran-3-yl)-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]methanone?
(2,5-dimethylfuran-3-yl)-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]methanone has a molecular weight of 301.35 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylfuran-3-yl)-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]methanone is sourced from PubChem (CID 100638902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).