[4-[(5-bromofuran-2-yl)methyl]piperazin-1-yl]-(furan-3-yl)methanone

C14H15BrN2O3 — CID 99791992

IUPAC[4-[(5-bromofuran-2-yl)methyl]piperazin-1-yl]-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1CCN(Cc2ccc(Br)o2)CC1
InChIInChI=1S/C14H15BrN2O3/c15-13-2-1-12(20-13)9-16-4-6-17(7-5-16)14(18)11-3-8-19-10-11/h1-3,8,10H,4-7,9H2
InChIKeyLQGHTHVHTHOVBW-UHFFFAOYSA-N
MW339.19 g/mol
LogP2.59
Rot. Bonds3

About [4-[(5-bromofuran-2-yl)methyl]piperazin-1-yl]-(furan-3-yl)methanone

[4-[(5-bromofuran-2-yl)methyl]piperazin-1-yl]-(furan-3-yl)methanone (PubChem CID 99791992) has the molecular formula C14H15BrN2O3 and a molecular weight of 339.19 g/mol. Its IUPAC name is [4-[(5-bromofuran-2-yl)methyl]piperazin-1-yl]-(furan-3-yl)methanone.

Molecular Properties

Compound Name[4-[(5-bromofuran-2-yl)methyl]piperazin-1-yl]-(furan-3-yl)methanone
PubChem CID99791992
Molecular FormulaC14H15BrN2O3
Molecular Weight339.19 g/mol
Exact Mass338.03
IUPAC Name[4-[(5-bromofuran-2-yl)methyl]piperazin-1-yl]-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1CCN(Cc2ccc(Br)o2)CC1
InChIInChI=1S/C14H15BrN2O3/c15-13-2-1-12(20-13)9-16-4-6-17(7-5-16)14(18)11-3-8-19-10-11/h1-3,8,10H,4-7,9H2
InChIKeyLQGHTHVHTHOVBW-UHFFFAOYSA-N
XLogP2.59
TPSA49.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.19
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

furan-3-yl-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 34955899
5-bromo-N-[1-(furan-3-carbonyl)piperidin-4-yl]furan-2-carboxamide
CID 38198333
3-[2-[4-(furan-3-carbonyl)piperazin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 34955514
(5-bromofuran-3-yl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 154835228
1-[(5-bromofuran-2-yl)methyl]-4-methylpiperazine
CID 2838208
furan-3-yl-[4-[(1-hydroxycyclohexyl)methyl]piperazin-1-yl]methanone
CID 110905169
[4-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-(furan-3-yl)methanone
CID 75471888
[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(furan-3-yl)methanone
CID 37279771
furan-3-yl-[4-[[3-(hydroxymethyl)oxetan-3-yl]methyl]piperazin-1-yl]methanone
CID 111976736
[4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-(furan-3-yl)methanone
CID 34834678
2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 31151705
furan-3-yl-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 18104739

Frequently Asked Questions

What is the IUPAC name of [4-[(5-bromofuran-2-yl)methyl]piperazin-1-yl]-(furan-3-yl)methanone?
The IUPAC name of [4-[(5-bromofuran-2-yl)methyl]piperazin-1-yl]-(furan-3-yl)methanone (CID 99791992) is [4-[(5-bromofuran-2-yl)methyl]piperazin-1-yl]-(furan-3-yl)methanone.
What is the SMILES notation for [4-[(5-bromofuran-2-yl)methyl]piperazin-1-yl]-(furan-3-yl)methanone?
The canonical SMILES for [4-[(5-bromofuran-2-yl)methyl]piperazin-1-yl]-(furan-3-yl)methanone is O=C(c1ccoc1)N1CCN(Cc2ccc(Br)o2)CC1.
What is the InChIKey of [4-[(5-bromofuran-2-yl)methyl]piperazin-1-yl]-(furan-3-yl)methanone?
The InChIKey is LQGHTHVHTHOVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O3/c15-13-2-1-12(20-13)9-16-4-6-17(7-5-16)14(18)11-3-8-19-10-11/h1-3,8,10H,4-7,9H2.
What are the key properties of [4-[(5-bromofuran-2-yl)methyl]piperazin-1-yl]-(furan-3-yl)methanone?
[4-[(5-bromofuran-2-yl)methyl]piperazin-1-yl]-(furan-3-yl)methanone has a molecular weight of 339.19 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-bromofuran-2-yl)methyl]piperazin-1-yl]-(furan-3-yl)methanone is sourced from PubChem (CID 99791992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).