(5-bromofuran-2-yl)-(3,4,5-trimethylpiperazin-1-yl)methanone

C12H17BrN2O2 — CID 110662274

IUPAC(5-bromofuran-2-yl)-(3,4,5-trimethylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2ccc(Br)o2)CC(C)N1C
InChIInChI=1S/C12H17BrN2O2/c1-8-6-15(7-9(2)14(8)3)12(16)10-4-5-11(13)17-10/h4-5,8-9H,6-7H2,1-3H3
InChIKeyVPVZBHJWQQRPLR-UHFFFAOYSA-N
MW301.18 g/mol
LogP2.21
Rot. Bonds1

About (5-bromofuran-2-yl)-(3,4,5-trimethylpiperazin-1-yl)methanone

(5-bromofuran-2-yl)-(3,4,5-trimethylpiperazin-1-yl)methanone (PubChem CID 110662274) has the molecular formula C12H17BrN2O2 and a molecular weight of 301.18 g/mol. Its IUPAC name is (5-bromofuran-2-yl)-(3,4,5-trimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-bromofuran-2-yl)-(3,4,5-trimethylpiperazin-1-yl)methanone
PubChem CID110662274
Molecular FormulaC12H17BrN2O2
Molecular Weight301.18 g/mol
Exact Mass300.05
IUPAC Name(5-bromofuran-2-yl)-(3,4,5-trimethylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2ccc(Br)o2)CC(C)N1C
InChIInChI=1S/C12H17BrN2O2/c1-8-6-15(7-9(2)14(8)3)12(16)10-4-5-11(13)17-10/h4-5,8-9H,6-7H2,1-3H3
InChIKeyVPVZBHJWQQRPLR-UHFFFAOYSA-N
XLogP2.21
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(5-bromofuran-2-carbonyl)-3-methylpiperazin-1-yl]-(5-bromofuran-2-yl)methanone
CID 112811867
[(2S,5S)-4-(5-bromofuran-2-carbonyl)-2,5-dimethylpiperazin-1-yl]-(5-bromofuran-2-yl)methanone
CID 1010202
(5-bromofuran-2-yl)-(3-ethylsulfonylazetidin-1-yl)methanone
CID 121164470
(5-bromofuran-2-yl)-[3-(chloromethyl)azetidin-1-yl]methanone
CID 130531342
(5-bromofuran-2-yl)-(2,4-dimethylpyrrolidin-1-yl)methanone
CID 115643711
[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
azepan-1-yl-(5-bromofuran-2-yl)methanone
CID 750410
1-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]ethanone
CID 84581067
(5-bromofuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119560232
(5-bromofuran-2-yl)-(4-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110750145
(5-bromofuran-2-yl)-(3-methylsulfanylpyrrolidin-1-yl)methanone
CID 86264212

Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-2-yl)-(3,4,5-trimethylpiperazin-1-yl)methanone?
The IUPAC name of (5-bromofuran-2-yl)-(3,4,5-trimethylpiperazin-1-yl)methanone (CID 110662274) is (5-bromofuran-2-yl)-(3,4,5-trimethylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-bromofuran-2-yl)-(3,4,5-trimethylpiperazin-1-yl)methanone?
The canonical SMILES for (5-bromofuran-2-yl)-(3,4,5-trimethylpiperazin-1-yl)methanone is CC1CN(C(=O)c2ccc(Br)o2)CC(C)N1C.
What is the InChIKey of (5-bromofuran-2-yl)-(3,4,5-trimethylpiperazin-1-yl)methanone?
The InChIKey is VPVZBHJWQQRPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2/c1-8-6-15(7-9(2)14(8)3)12(16)10-4-5-11(13)17-10/h4-5,8-9H,6-7H2,1-3H3.
What are the key properties of (5-bromofuran-2-yl)-(3,4,5-trimethylpiperazin-1-yl)methanone?
(5-bromofuran-2-yl)-(3,4,5-trimethylpiperazin-1-yl)methanone has a molecular weight of 301.18 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromofuran-2-yl)-(3,4,5-trimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 110662274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).