2-(2-bromophenyl)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone

C17H19BrN2O2 — CID 113073906

IUPAC2-(2-bromophenyl)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone
SMILESO=C(Cc1ccccc1Br)N1CCN(Cc2ccco2)CC1
InChIInChI=1S/C17H19BrN2O2/c18-16-6-2-1-4-14(16)12-17(21)20-9-7-19(8-10-20)13-15-5-3-11-22-15/h1-6,11H,7-10,12-13H2
InChIKeyGVVJWQUHKWROEX-UHFFFAOYSA-N
MW363.25 g/mol
LogP2.93
Rot. Bonds4

About 2-(2-bromophenyl)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone

2-(2-bromophenyl)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone (PubChem CID 113073906) has the molecular formula C17H19BrN2O2 and a molecular weight of 363.25 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-bromophenyl)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone
PubChem CID113073906
Molecular FormulaC17H19BrN2O2
Molecular Weight363.25 g/mol
Exact Mass362.06
IUPAC Name2-(2-bromophenyl)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone
SMILESO=C(Cc1ccccc1Br)N1CCN(Cc2ccco2)CC1
InChIInChI=1S/C17H19BrN2O2/c18-16-6-2-1-4-14(16)12-17(21)20-9-7-19(8-10-20)13-15-5-3-11-22-15/h1-6,11H,7-10,12-13H2
InChIKeyGVVJWQUHKWROEX-UHFFFAOYSA-N
XLogP2.93
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.25
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone
CID 63680467
1-[4-(furan-2-ylmethyl)piperazin-1-yl]butane-1,3-dione
CID 54876665
2-(2-bromophenyl)-1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethanone
CID 113074105
1-(furan-2-ylmethyl)-4-[(2-methylphenyl)methyl]piperazine;oxalic acid
CID 126476688
1-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]-2-thiophen-2-ylethanone
CID 23848048
1-[4-(furan-2-ylmethyl)piperazin-1-yl]nonane-1,8-dione
CID 75394752
2-(4-ethoxyphenyl)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone
CID 17249513
N-[2-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-oxoethyl]-2-methylbenzamide
CID 46538728
1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 17249414
2-(2-bromophenyl)-1-[4-(3-methylbutyl)piperazin-1-yl]ethanone
CID 113075030
1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2,2-diphenylethanone
CID 1131695
1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-(1-hydroxycyclohexyl)ethanone
CID 84585261

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(2-bromophenyl)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone (CID 113073906) is 2-(2-bromophenyl)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2-bromophenyl)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2-bromophenyl)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone is O=C(Cc1ccccc1Br)N1CCN(Cc2ccco2)CC1.
What is the InChIKey of 2-(2-bromophenyl)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone?
The InChIKey is GVVJWQUHKWROEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O2/c18-16-6-2-1-4-14(16)12-17(21)20-9-7-19(8-10-20)13-15-5-3-11-22-15/h1-6,11H,7-10,12-13H2.
What are the key properties of 2-(2-bromophenyl)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone?
2-(2-bromophenyl)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone has a molecular weight of 363.25 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 113073906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).