(5-bromofuran-3-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone

C15H14BrFN2O2 — CID 120736646

IUPAC(5-bromofuran-3-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1coc(Br)c1)N1CCNCC1c1cccc(F)c1
InChIInChI=1S/C15H14BrFN2O2/c16-14-7-11(9-21-14)15(20)19-5-4-18-8-13(19)10-2-1-3-12(17)6-10/h1-3,6-7,9,13,18H,4-5,8H2
InChIKeyHTQZYYRQCSTKEN-UHFFFAOYSA-N
MW353.19 g/mol
LogP2.97
Rot. Bonds2

About (5-bromofuran-3-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone

(5-bromofuran-3-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 120736646) has the molecular formula C15H14BrFN2O2 and a molecular weight of 353.19 g/mol. Its IUPAC name is (5-bromofuran-3-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-bromofuran-3-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone
PubChem CID120736646
Molecular FormulaC15H14BrFN2O2
Molecular Weight353.19 g/mol
Exact Mass352.02
IUPAC Name(5-bromofuran-3-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1coc(Br)c1)N1CCNCC1c1cccc(F)c1
InChIInChI=1S/C15H14BrFN2O2/c16-14-7-11(9-21-14)15(20)19-5-4-18-8-13(19)10-2-1-3-12(17)6-10/h1-3,6-7,9,13,18H,4-5,8H2
InChIKeyHTQZYYRQCSTKEN-UHFFFAOYSA-N
XLogP2.97
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.19
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromothiophen-3-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120737625
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 120737442
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone;hydrochloride
CID 120737441
(3-fluorophenyl)-[(2R)-2-phenylpiperazin-1-yl]methanone
CID 94997806
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone
CID 120737064
[2-(3-fluorophenyl)piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride
CID 120736351
(3,4-dimethylphenyl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120737461
2,3-dihydro-1H-inden-5-yl-[2-(3-fluorophenyl)piperazin-1-yl]methanone
CID 120737068
3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-N,N-dimethylbenzamide
CID 120737949
1-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]phenyl]propan-1-one;hydrochloride
CID 120736893
[2-(3-fluorophenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone
CID 120736698
5-[2-(3-fluorophenyl)piperazine-1-carbonyl]-2-methylisoindole-1,3-dione;hydrochloride
CID 120738086

Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-3-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of (5-bromofuran-3-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone (CID 120736646) is (5-bromofuran-3-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-bromofuran-3-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for (5-bromofuran-3-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone is O=C(c1coc(Br)c1)N1CCNCC1c1cccc(F)c1.
What is the InChIKey of (5-bromofuran-3-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is HTQZYYRQCSTKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O2/c16-14-7-11(9-21-14)15(20)19-5-4-18-8-13(19)10-2-1-3-12(17)6-10/h1-3,6-7,9,13,18H,4-5,8H2.
What are the key properties of (5-bromofuran-3-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone?
(5-bromofuran-3-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 353.19 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromofuran-3-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 120736646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).