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

C14H15BrN2O3 — CID 154835228

IUPAC(5-bromofuran-3-yl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1coc(Br)c1)N1CCN(Cc2ccco2)CC1
InChIInChI=1S/C14H15BrN2O3/c15-13-8-11(10-20-13)14(18)17-5-3-16(4-6-17)9-12-2-1-7-19-12/h1-2,7-8,10H,3-6,9H2
InChIKeyRFLQBDHWLCQUPW-UHFFFAOYSA-N
MW339.19 g/mol
LogP2.59
Rot. Bonds3

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

(5-bromofuran-3-yl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone (PubChem CID 154835228) has the molecular formula C14H15BrN2O3 and a molecular weight of 339.19 g/mol. Its IUPAC name is (5-bromofuran-3-yl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-bromofuran-3-yl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
PubChem CID154835228
Molecular FormulaC14H15BrN2O3
Molecular Weight339.19 g/mol
Exact Mass338.03
IUPAC Name(5-bromofuran-3-yl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1coc(Br)c1)N1CCN(Cc2ccco2)CC1
InChIInChI=1S/C14H15BrN2O3/c15-13-8-11(10-20-13)14(18)17-5-3-16(4-6-17)9-12-2-1-7-19-12/h1-2,7-8,10H,3-6,9H2
InChIKeyRFLQBDHWLCQUPW-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

(3-bromo-5-fluorophenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 46471336
(3,5-dinitrophenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 19572404
(5-bromofuran-3-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 39322873
(3-fluoro-4-hydroxyphenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 154863760
4-[4-(furan-2-ylmethyl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 103763565
(5-bromo-3-pyridinyl)-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 5003299
2-bromo-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone
CID 63680467
[3-[4-(furan-2-ylmethyl)piperazine-1-carbonyl]-1-methylpyrazol-4-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 29097638
(4-butylphenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 17249343
(4-chloro-1-methylpyrrol-2-yl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 56810671
[4-(furan-2-ylmethyl)piperazin-1-yl]-[3-[[(S)-methylsulfinyl]methyl]phenyl]methanone
CID 94536612
(3-bromo-4-methoxyphenyl)-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 3549117

Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-3-yl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of (5-bromofuran-3-yl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone (CID 154835228) is (5-bromofuran-3-yl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-bromofuran-3-yl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for (5-bromofuran-3-yl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone is O=C(c1coc(Br)c1)N1CCN(Cc2ccco2)CC1.
What is the InChIKey of (5-bromofuran-3-yl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is RFLQBDHWLCQUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O3/c15-13-8-11(10-20-13)14(18)17-5-3-16(4-6-17)9-12-2-1-7-19-12/h1-2,7-8,10H,3-6,9H2.
What are the key properties of (5-bromofuran-3-yl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone?
(5-bromofuran-3-yl)-[4-(furan-2-ylmethyl)piperazin-1-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 (5-bromofuran-3-yl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 154835228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).