(5-bromofuran-2-yl)-(3-pyridin-4-yloxypiperidin-1-yl)methanone

C15H15BrN2O3 — CID 122255794

IUPAC(5-bromofuran-2-yl)-(3-pyridin-4-yloxypiperidin-1-yl)methanone
SMILESO=C(c1ccc(Br)o1)N1CCCC(Oc2ccncc2)C1
InChIInChI=1S/C15H15BrN2O3/c16-14-4-3-13(21-14)15(19)18-9-1-2-12(10-18)20-11-5-7-17-8-6-11/h3-8,12H,1-2,9-10H2
InChIKeyFGOBRRVCVJEUFI-UHFFFAOYSA-N
MW351.20 g/mol
LogP3.12
Rot. Bonds3

About (5-bromofuran-2-yl)-(3-pyridin-4-yloxypiperidin-1-yl)methanone

(5-bromofuran-2-yl)-(3-pyridin-4-yloxypiperidin-1-yl)methanone (PubChem CID 122255794) has the molecular formula C15H15BrN2O3 and a molecular weight of 351.20 g/mol. Its IUPAC name is (5-bromofuran-2-yl)-(3-pyridin-4-yloxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-bromofuran-2-yl)-(3-pyridin-4-yloxypiperidin-1-yl)methanone
PubChem CID122255794
Molecular FormulaC15H15BrN2O3
Molecular Weight351.20 g/mol
Exact Mass350.03
IUPAC Name(5-bromofuran-2-yl)-(3-pyridin-4-yloxypiperidin-1-yl)methanone
SMILESO=C(c1ccc(Br)o1)N1CCCC(Oc2ccncc2)C1
InChIInChI=1S/C15H15BrN2O3/c16-14-4-3-13(21-14)15(19)18-9-1-2-12(10-18)20-11-5-7-17-8-6-11/h3-8,12H,1-2,9-10H2
InChIKeyFGOBRRVCVJEUFI-UHFFFAOYSA-N
XLogP3.12
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-pyridin-4-yloxypiperidine-1-carbonyl)chromen-4-one
CID 122255813
(3-pyridin-4-yloxypiperidin-1-yl)-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
CID 122255893
(4-morpholin-4-ylphenyl)-(3-pyridin-4-yloxypiperidin-1-yl)methanone
CID 122255930
furan-2-yl-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]methanone
CID 124725318
(2,4-dichlorophenyl)-(3-pyridin-4-yloxypiperidin-1-yl)methanone
CID 122255743
(3-pyridin-4-yloxypiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone
CID 122255912
1-(3-pyridin-4-yloxypiperidin-1-yl)but-2-en-1-one
CID 171137326
(1-methyltriazol-4-yl)-(3-pyridin-4-yloxypiperidin-1-yl)methanone
CID 122255852
N-[4-(3-pyridin-4-yloxypiperidine-1-carbonyl)phenyl]acetamide
CID 119100706
2-methyl-6-(3-pyridin-4-yloxypiperidine-1-carbonyl)pyridazin-3-one
CID 121017957
6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-(3-pyridin-4-yloxypiperidin-1-yl)methanone
CID 122255943
(5-bromofuran-2-yl)-[3-(fluoromethyl)piperidin-1-yl]methanone
CID 163346718

Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-2-yl)-(3-pyridin-4-yloxypiperidin-1-yl)methanone?
The IUPAC name of (5-bromofuran-2-yl)-(3-pyridin-4-yloxypiperidin-1-yl)methanone (CID 122255794) is (5-bromofuran-2-yl)-(3-pyridin-4-yloxypiperidin-1-yl)methanone.
What is the SMILES notation for (5-bromofuran-2-yl)-(3-pyridin-4-yloxypiperidin-1-yl)methanone?
The canonical SMILES for (5-bromofuran-2-yl)-(3-pyridin-4-yloxypiperidin-1-yl)methanone is O=C(c1ccc(Br)o1)N1CCCC(Oc2ccncc2)C1.
What is the InChIKey of (5-bromofuran-2-yl)-(3-pyridin-4-yloxypiperidin-1-yl)methanone?
The InChIKey is FGOBRRVCVJEUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O3/c16-14-4-3-13(21-14)15(19)18-9-1-2-12(10-18)20-11-5-7-17-8-6-11/h3-8,12H,1-2,9-10H2.
What are the key properties of (5-bromofuran-2-yl)-(3-pyridin-4-yloxypiperidin-1-yl)methanone?
(5-bromofuran-2-yl)-(3-pyridin-4-yloxypiperidin-1-yl)methanone has a molecular weight of 351.20 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromofuran-2-yl)-(3-pyridin-4-yloxypiperidin-1-yl)methanone is sourced from PubChem (CID 122255794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).