1-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]ethanone

C12H14BrNO3 — CID 84581067

IUPAC1-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]ethanone
SMILESCC(=O)C1CCN(C(=O)c2ccc(Br)o2)CC1
InChIInChI=1S/C12H14BrNO3/c1-8(15)9-4-6-14(7-5-9)12(16)10-2-3-11(13)17-10/h2-3,9H,4-7H2,1H3
InChIKeyGIZZJIVKNOBYBR-UHFFFAOYSA-N
MW300.15 g/mol
LogP2.48
Rot. Bonds2

About 1-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]ethanone

1-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]ethanone (PubChem CID 84581067) has the molecular formula C12H14BrNO3 and a molecular weight of 300.15 g/mol. Its IUPAC name is 1-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]ethanone.

Molecular Properties

Compound Name1-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]ethanone
PubChem CID84581067
Molecular FormulaC12H14BrNO3
Molecular Weight300.15 g/mol
Exact Mass299.02
IUPAC Name1-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]ethanone
SMILESCC(=O)C1CCN(C(=O)c2ccc(Br)o2)CC1
InChIInChI=1S/C12H14BrNO3/c1-8(15)9-4-6-14(7-5-9)12(16)10-2-3-11(13)17-10/h2-3,9H,4-7H2,1H3
InChIKeyGIZZJIVKNOBYBR-UHFFFAOYSA-N
XLogP2.48
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.15
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromofuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119560232
(5-bromofuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119560231
azepan-1-yl-(5-bromofuran-2-yl)methanone
CID 750410
[4-(1-bromoethyl)piperidin-1-yl]-(5-bromofuran-2-yl)methanone
CID 106839225
(5-bromofuran-2-yl)-[4-(bromomethyl)piperidin-1-yl]methanone
CID 80678565
1-[4-(5-bromofuran-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 60702023
(5-bromofuran-2-yl)-(3-methylsulfanylpyrrolidin-1-yl)methanone
CID 86264212
(5-bromofuran-2-yl)-(4-propylazepan-1-yl)methanone
CID 49008152
1-[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 39492865
(5-bromofuran-2-yl)-(4,4-dimethylazepan-1-yl)methanone
CID 65283148
2-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]oxyacetic acid
CID 63869212
(5-bromofuran-2-yl)-[(7R)-1,1-dioxo-7-phenyl-1,4-thiazepan-4-yl]methanone
CID 129357238

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]ethanone?
The IUPAC name of 1-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]ethanone (CID 84581067) is 1-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]ethanone.
What is the SMILES notation for 1-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]ethanone?
The canonical SMILES for 1-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]ethanone is CC(=O)C1CCN(C(=O)c2ccc(Br)o2)CC1.
What is the InChIKey of 1-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]ethanone?
The InChIKey is GIZZJIVKNOBYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO3/c1-8(15)9-4-6-14(7-5-9)12(16)10-2-3-11(13)17-10/h2-3,9H,4-7H2,1H3.
What are the key properties of 1-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]ethanone?
1-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]ethanone has a molecular weight of 300.15 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]ethanone is sourced from PubChem (CID 84581067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).