[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-(furan-3-yl)methanone

C14H14BrN3O3 — CID 122258964

IUPAC[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1CCCC(Oc2ncc(Br)cn2)C1
InChIInChI=1S/C14H14BrN3O3/c15-11-6-16-14(17-7-11)21-12-2-1-4-18(8-12)13(19)10-3-5-20-9-10/h3,5-7,9,12H,1-2,4,8H2
InChIKeyVACOAIXQBATXDD-UHFFFAOYSA-N
MW352.19 g/mol
LogP2.52
Rot. Bonds3

About [3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-(furan-3-yl)methanone

[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-(furan-3-yl)methanone (PubChem CID 122258964) has the molecular formula C14H14BrN3O3 and a molecular weight of 352.19 g/mol. Its IUPAC name is [3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-(furan-3-yl)methanone.

Molecular Properties

Compound Name[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-(furan-3-yl)methanone
PubChem CID122258964
Molecular FormulaC14H14BrN3O3
Molecular Weight352.19 g/mol
Exact Mass351.02
IUPAC Name[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1CCCC(Oc2ncc(Br)cn2)C1
InChIInChI=1S/C14H14BrN3O3/c15-11-6-16-14(17-7-11)21-12-2-1-4-18(8-12)13(19)10-3-5-20-9-10/h3,5-7,9,12H,1-2,4,8H2
InChIKeyVACOAIXQBATXDD-UHFFFAOYSA-N
XLogP2.52
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.19
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-pyridin-3-ylmethanone
CID 122258916
[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 122161002
[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-(2,5-dichlorophenyl)methanone
CID 122258823
furan-3-yl-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]methanone
CID 100639672
furan-3-yl-[(3R)-3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone
CID 100642616
[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 122258803
[(3S)-3-[(3-bromo-2-pyridinyl)oxy]pyrrolidin-1-yl]-(furan-3-yl)methanone
CID 129418013
[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(4-methylphenyl)methanone
CID 122258311
[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 122160997
(3-chlorophenyl)-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 122259322
[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 119100780
[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-(4-methoxyphenyl)methanone
CID 122259305

Frequently Asked Questions

What is the IUPAC name of [3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-(furan-3-yl)methanone?
The IUPAC name of [3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-(furan-3-yl)methanone (CID 122258964) is [3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-(furan-3-yl)methanone.
What is the SMILES notation for [3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-(furan-3-yl)methanone?
The canonical SMILES for [3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-(furan-3-yl)methanone is O=C(c1ccoc1)N1CCCC(Oc2ncc(Br)cn2)C1.
What is the InChIKey of [3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-(furan-3-yl)methanone?
The InChIKey is VACOAIXQBATXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O3/c15-11-6-16-14(17-7-11)21-12-2-1-4-18(8-12)13(19)10-3-5-20-9-10/h3,5-7,9,12H,1-2,4,8H2.
What are the key properties of [3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-(furan-3-yl)methanone?
[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-(furan-3-yl)methanone has a molecular weight of 352.19 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-(furan-3-yl)methanone is sourced from PubChem (CID 122258964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).