(2,5-dimethylfuran-3-yl)-[(3R)-3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone

C17H21N3O3 — CID 100641925

IUPAC(2,5-dimethylfuran-3-yl)-[(3R)-3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone
SMILESCc1ccc(O[C@@H]2CCCN(C(=O)c3cc(C)oc3C)C2)nn1
InChIInChI=1S/C17H21N3O3/c1-11-6-7-16(19-18-11)23-14-5-4-8-20(10-14)17(21)15-9-12(2)22-13(15)3/h6-7,9,14H,4-5,8,10H2,1-3H3/t14-/m1/s1
InChIKeyUEQMXHMDHKBLDE-CQSZACIVSA-N
MW315.37 g/mol
LogP2.68
Rot. Bonds3

About (2,5-dimethylfuran-3-yl)-[(3R)-3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone

(2,5-dimethylfuran-3-yl)-[(3R)-3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone (PubChem CID 100641925) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is (2,5-dimethylfuran-3-yl)-[(3R)-3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethylfuran-3-yl)-[(3R)-3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone
PubChem CID100641925
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name(2,5-dimethylfuran-3-yl)-[(3R)-3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone
SMILESCc1ccc(O[C@@H]2CCCN(C(=O)c3cc(C)oc3C)C2)nn1
InChIInChI=1S/C17H21N3O3/c1-11-6-7-16(19-18-11)23-14-5-4-8-20(10-14)17(21)15-9-12(2)22-13(15)3/h6-7,9,14H,4-5,8,10H2,1-3H3/t14-/m1/s1
InChIKeyUEQMXHMDHKBLDE-CQSZACIVSA-N
XLogP2.68
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2,5-dimethylfuran-3-yl)-[(3R)-3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone with MolForge

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Related Compounds

(2,5-dimethylfuran-3-yl)-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]methanone
CID 100638902
(2,5-dimethylfuran-3-yl)-(3-pyridazin-3-yloxypiperidin-1-yl)methanone
CID 91627673
furan-3-yl-[(3R)-3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone
CID 100642616
(2,5-dimethylfuran-3-yl)-[(3R)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone
CID 129416387
[3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 91627736
3-[(3R)-3-(6-methylpyridazin-3-yl)oxypiperidine-1-carbonyl]-1H-pyridin-2-one
CID 100641225
[(3S)-3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-morpholin-4-ylmethanone
CID 100643748
[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 122243487
2-chloro-1-[3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]ethanone
CID 110208245
(5-methyl-1,2-oxazol-3-yl)-[(3R)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 100627189
(4-methylpiperazin-1-yl)-[(3R)-3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone
CID 100643728
3-chloro-1-[3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]propan-1-one
CID 110208246

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylfuran-3-yl)-[(3R)-3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone?
The IUPAC name of (2,5-dimethylfuran-3-yl)-[(3R)-3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone (CID 100641925) is (2,5-dimethylfuran-3-yl)-[(3R)-3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone.
What is the SMILES notation for (2,5-dimethylfuran-3-yl)-[(3R)-3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone?
The canonical SMILES for (2,5-dimethylfuran-3-yl)-[(3R)-3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone is Cc1ccc(O[C@@H]2CCCN(C(=O)c3cc(C)oc3C)C2)nn1.
What is the InChIKey of (2,5-dimethylfuran-3-yl)-[(3R)-3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone?
The InChIKey is UEQMXHMDHKBLDE-CQSZACIVSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-11-6-7-16(19-18-11)23-14-5-4-8-20(10-14)17(21)15-9-12(2)22-13(15)3/h6-7,9,14H,4-5,8,10H2,1-3H3/t14-/m1/s1.
What are the key properties of (2,5-dimethylfuran-3-yl)-[(3R)-3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone?
(2,5-dimethylfuran-3-yl)-[(3R)-3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone has a molecular weight of 315.37 g/mol, XLogP of 2.68, 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-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone is sourced from PubChem (CID 100641925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).