[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone

C17H19ClN2O3 — CID 122243487

IUPAC[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
SMILESCc1cc(C(=O)N2CCCC(Oc3ccncc3Cl)C2)c(C)o1
InChIInChI=1S/C17H19ClN2O3/c1-11-8-14(12(2)22-11)17(21)20-7-3-4-13(10-20)23-16-5-6-19-9-15(16)18/h5-6,8-9,13H,3-4,7,10H2,1-2H3
InChIKeyNEIWGYLEVVFSKD-UHFFFAOYSA-N
MW334.80 g/mol
LogP3.63
Rot. Bonds3

About [3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone

[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone (PubChem CID 122243487) has the molecular formula C17H19ClN2O3 and a molecular weight of 334.80 g/mol. Its IUPAC name is [3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone.

Molecular Properties

Compound Name[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
PubChem CID122243487
Molecular FormulaC17H19ClN2O3
Molecular Weight334.80 g/mol
Exact Mass334.11
IUPAC Name[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
SMILESCc1cc(C(=O)N2CCCC(Oc3ccncc3Cl)C2)c(C)o1
InChIInChI=1S/C17H19ClN2O3/c1-11-8-14(12(2)22-11)17(21)20-7-3-4-13(10-20)23-16-5-6-19-9-15(16)18/h5-6,8-9,13H,3-4,7,10H2,1-2H3
InChIKeyNEIWGYLEVVFSKD-UHFFFAOYSA-N
XLogP3.63
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.80
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone with MolForge

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Related Compounds

(2-chloro-4-fluorophenyl)-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]methanone
CID 122256291
[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 122256184
3-[3-[(3-chloro-4-pyridinyl)oxy]piperidine-1-carbonyl]chromen-2-one
CID 122243483
[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone
CID 122256419
[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 122243488
[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 122256393
2-chloro-1-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]propan-1-one
CID 122256176
(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
2-chloro-1-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]ethanone
CID 122256173
(2,5-dimethylfuran-3-yl)-[(3R)-3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone
CID 100641925
3-[(3-chloro-4-pyridinyl)oxy]-N-(3,4-dimethylphenyl)piperidine-1-carboxamide
CID 122256463

Frequently Asked Questions

What is the IUPAC name of [3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone?
The IUPAC name of [3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone (CID 122243487) is [3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone.
What is the SMILES notation for [3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone?
The canonical SMILES for [3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone is Cc1cc(C(=O)N2CCCC(Oc3ccncc3Cl)C2)c(C)o1.
What is the InChIKey of [3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone?
The InChIKey is NEIWGYLEVVFSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3/c1-11-8-14(12(2)22-11)17(21)20-7-3-4-13(10-20)23-16-5-6-19-9-15(16)18/h5-6,8-9,13H,3-4,7,10H2,1-2H3.
What are the key properties of [3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone?
[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone has a molecular weight of 334.80 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone is sourced from PubChem (CID 122243487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).