1-(5-bromofuran-2-yl)-5-ethylpiperazin-2-one

C10H13BrN2O2 — CID 175703545

IUPAC1-(5-bromofuran-2-yl)-5-ethylpiperazin-2-one
SMILESCCC1CN(c2ccc(Br)o2)C(=O)CN1
InChIInChI=1S/C10H13BrN2O2/c1-2-7-6-13(9(14)5-12-7)10-4-3-8(11)15-10/h3-4,7,12H,2,5-6H2,1H3
InChIKeyDXIPPVSGXMYXQR-UHFFFAOYSA-N
MW273.13 g/mol
LogP1.76
Rot. Bonds2

About 1-(5-bromofuran-2-yl)-5-ethylpiperazin-2-one

1-(5-bromofuran-2-yl)-5-ethylpiperazin-2-one (PubChem CID 175703545) has the molecular formula C10H13BrN2O2 and a molecular weight of 273.13 g/mol. Its IUPAC name is 1-(5-bromofuran-2-yl)-5-ethylpiperazin-2-one.

Molecular Properties

Compound Name1-(5-bromofuran-2-yl)-5-ethylpiperazin-2-one
PubChem CID175703545
Molecular FormulaC10H13BrN2O2
Molecular Weight273.13 g/mol
Exact Mass272.02
IUPAC Name1-(5-bromofuran-2-yl)-5-ethylpiperazin-2-one
SMILESCCC1CN(c2ccc(Br)o2)C(=O)CN1
InChIInChI=1S/C10H13BrN2O2/c1-2-7-6-13(9(14)5-12-7)10-4-3-8(11)15-10/h3-4,7,12H,2,5-6H2,1H3
InChIKeyDXIPPVSGXMYXQR-UHFFFAOYSA-N
XLogP1.76
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-Bromofuran-2-yl)-2-(trifluoromethyl)piperazine
CID 115101315
4-(Furan-2-yl)-5-(trifluoromethyl)piperazin-2-one
CID 115101434
4-(5-Bromofuran-2-yl)-5-(trifluoromethyl)piperazin-2-one
CID 115101437
1-(5-Bromofuran-2-yl)-2-(trifluoromethyl)-1,4-diazepane
CID 115101700
N-(5-bromofuran-2-yl)formamide
CID 17898422
1-(Furan-2-yl)-3-methylpiperazine
CID 63949565
[1-(Furan-2-yl)piperazin-2-ylidene]methanone
CID 87059380
4-(Furan-2-yl)piperazine-2-carbaldehyde
CID 88762737
N-(furan-2-yl)-2-piperazin-1-ylacetamide
CID 117603448
N-[5-[[2-(methylamino)acetyl]amino]furan-2-yl]propanamide
CID 146415896
ethane;N-[5-[[2-(methylamino)acetyl]amino]furan-2-yl]propanamide
CID 153536870
5-bromo-N-methylfuran-2-amine
CID 160936261

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromofuran-2-yl)-5-ethylpiperazin-2-one?
The IUPAC name of 1-(5-bromofuran-2-yl)-5-ethylpiperazin-2-one (CID 175703545) is 1-(5-bromofuran-2-yl)-5-ethylpiperazin-2-one.
What is the SMILES notation for 1-(5-bromofuran-2-yl)-5-ethylpiperazin-2-one?
The canonical SMILES for 1-(5-bromofuran-2-yl)-5-ethylpiperazin-2-one is CCC1CN(c2ccc(Br)o2)C(=O)CN1.
What is the InChIKey of 1-(5-bromofuran-2-yl)-5-ethylpiperazin-2-one?
The InChIKey is DXIPPVSGXMYXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O2/c1-2-7-6-13(9(14)5-12-7)10-4-3-8(11)15-10/h3-4,7,12H,2,5-6H2,1H3.
What are the key properties of 1-(5-bromofuran-2-yl)-5-ethylpiperazin-2-one?
1-(5-bromofuran-2-yl)-5-ethylpiperazin-2-one has a molecular weight of 273.13 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromofuran-2-yl)-5-ethylpiperazin-2-one is sourced from PubChem (CID 175703545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).