[4-(5-bromofuran-2-carbonyl)-3-methylpiperazin-1-yl]-(5-bromofuran-2-yl)methanone

C15H14Br2N2O4 — CID 112811867

IUPAC[4-(5-bromofuran-2-carbonyl)-3-methylpiperazin-1-yl]-(5-bromofuran-2-yl)methanone
SMILESCC1CN(C(=O)c2ccc(Br)o2)CCN1C(=O)c1ccc(Br)o1
InChIInChI=1S/C15H14Br2N2O4/c1-9-8-18(14(20)10-2-4-12(16)22-10)6-7-19(9)15(21)11-3-5-13(17)23-11/h2-5,9H,6-8H2,1H3
InChIKeyRJAVWMSBYVBNBB-UHFFFAOYSA-N
MW446.10 g/mol
LogP3.38
Rot. Bonds2

About [4-(5-bromofuran-2-carbonyl)-3-methylpiperazin-1-yl]-(5-bromofuran-2-yl)methanone

[4-(5-bromofuran-2-carbonyl)-3-methylpiperazin-1-yl]-(5-bromofuran-2-yl)methanone (PubChem CID 112811867) has the molecular formula C15H14Br2N2O4 and a molecular weight of 446.10 g/mol. Its IUPAC name is [4-(5-bromofuran-2-carbonyl)-3-methylpiperazin-1-yl]-(5-bromofuran-2-yl)methanone.

Molecular Properties

Compound Name[4-(5-bromofuran-2-carbonyl)-3-methylpiperazin-1-yl]-(5-bromofuran-2-yl)methanone
PubChem CID112811867
Molecular FormulaC15H14Br2N2O4
Molecular Weight446.10 g/mol
Exact Mass443.93
IUPAC Name[4-(5-bromofuran-2-carbonyl)-3-methylpiperazin-1-yl]-(5-bromofuran-2-yl)methanone
SMILESCC1CN(C(=O)c2ccc(Br)o2)CCN1C(=O)c1ccc(Br)o1
InChIInChI=1S/C15H14Br2N2O4/c1-9-8-18(14(20)10-2-4-12(16)22-10)6-7-19(9)15(21)11-3-5-13(17)23-11/h2-5,9H,6-8H2,1H3
InChIKeyRJAVWMSBYVBNBB-UHFFFAOYSA-N
XLogP3.38
TPSA66.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.10
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S,5S)-4-(5-bromofuran-2-carbonyl)-2,5-dimethylpiperazin-1-yl]-(5-bromofuran-2-yl)methanone
CID 1010202
(5-bromofuran-2-yl)-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 110662274
(5-bromofuran-2-yl)-(2,4-dimethylpyrrolidin-1-yl)methanone
CID 115643711
1-(5-bromofuran-2-carbonyl)-2-methylpiperidine-4-carboxylic acid
CID 106741803
(5-bromofuran-2-yl)-(3-methylsulfanylpyrrolidin-1-yl)methanone
CID 86264212
1-[4-(5-bromofuran-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 60702023
1-[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 39492865
azepan-1-yl-(5-bromofuran-2-yl)methanone
CID 750410
(5-bromofuran-2-yl)-(3-ethylsulfonylazetidin-1-yl)methanone
CID 121164470
[4-(1-bromoethyl)piperidin-1-yl]-(5-bromofuran-2-yl)methanone
CID 106839225
(5-chlorofuran-2-yl)-(3,4-dimethylpiperazin-1-yl)methanone
CID 103725307
(5-bromofuran-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119488242

Frequently Asked Questions

What is the IUPAC name of [4-(5-bromofuran-2-carbonyl)-3-methylpiperazin-1-yl]-(5-bromofuran-2-yl)methanone?
The IUPAC name of [4-(5-bromofuran-2-carbonyl)-3-methylpiperazin-1-yl]-(5-bromofuran-2-yl)methanone (CID 112811867) is [4-(5-bromofuran-2-carbonyl)-3-methylpiperazin-1-yl]-(5-bromofuran-2-yl)methanone.
What is the SMILES notation for [4-(5-bromofuran-2-carbonyl)-3-methylpiperazin-1-yl]-(5-bromofuran-2-yl)methanone?
The canonical SMILES for [4-(5-bromofuran-2-carbonyl)-3-methylpiperazin-1-yl]-(5-bromofuran-2-yl)methanone is CC1CN(C(=O)c2ccc(Br)o2)CCN1C(=O)c1ccc(Br)o1.
What is the InChIKey of [4-(5-bromofuran-2-carbonyl)-3-methylpiperazin-1-yl]-(5-bromofuran-2-yl)methanone?
The InChIKey is RJAVWMSBYVBNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2N2O4/c1-9-8-18(14(20)10-2-4-12(16)22-10)6-7-19(9)15(21)11-3-5-13(17)23-11/h2-5,9H,6-8H2,1H3.
What are the key properties of [4-(5-bromofuran-2-carbonyl)-3-methylpiperazin-1-yl]-(5-bromofuran-2-yl)methanone?
[4-(5-bromofuran-2-carbonyl)-3-methylpiperazin-1-yl]-(5-bromofuran-2-yl)methanone has a molecular weight of 446.10 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-bromofuran-2-carbonyl)-3-methylpiperazin-1-yl]-(5-bromofuran-2-yl)methanone is sourced from PubChem (CID 112811867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).