[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate

C20H20BrN3O6 — CID 29154616

IUPAC[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccc(Br)cc1)OCC(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C20H20BrN3O6/c21-15-5-3-14(4-6-15)19(27)22-12-18(26)30-13-17(25)23-7-9-24(10-8-23)20(28)16-2-1-11-29-16/h1-6,11H,7-10,12-13H2,(H,22,27)
InChIKeyFCFFIXCJVDCIMA-UHFFFAOYSA-N
MW478.30 g/mol
LogP1.30
Rot. Bonds6

About [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate

[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate (PubChem CID 29154616) has the molecular formula C20H20BrN3O6 and a molecular weight of 478.30 g/mol. Its IUPAC name is [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate
PubChem CID29154616
Molecular FormulaC20H20BrN3O6
Molecular Weight478.30 g/mol
Exact Mass477.05
IUPAC Name[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccc(Br)cc1)OCC(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C20H20BrN3O6/c21-15-5-3-14(4-6-15)19(27)22-12-18(26)30-13-17(25)23-7-9-24(10-8-23)20(28)16-2-1-11-29-16/h1-6,11H,7-10,12-13H2,(H,22,27)
InChIKeyFCFFIXCJVDCIMA-UHFFFAOYSA-N
XLogP1.30
TPSA109.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.30
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[2-[2-[(4-bromobenzoyl)amino]acetyl]oxyacetyl]piperazine-1-carboxylate
CID 29461635
[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-(furan-2-carbonylamino)acetate
CID 7824676
N-[2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
CID 110807717
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 6461144
2-[4-(4-bromophenyl)phenoxy]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 17471869
[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-hydroxybenzoate
CID 2388350
[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate
CID 9364264
[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate
CID 46818738
[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 2336332
N-[2-(4-bromophenyl)-2-methylpropyl]-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide
CID 111166669
(2-oxo-2-pyrrolidin-1-ylethyl) 2-[(4-phenylbenzoyl)amino]acetate
CID 2417351
[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] thiophene-2-carboxylate
CID 2355144

Frequently Asked Questions

What is the IUPAC name of [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate?
The IUPAC name of [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate (CID 29154616) is [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate.
What is the SMILES notation for [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate?
The canonical SMILES for [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate is O=C(CNC(=O)c1ccc(Br)cc1)OCC(=O)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate?
The InChIKey is FCFFIXCJVDCIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrN3O6/c21-15-5-3-14(4-6-15)19(27)22-12-18(26)30-13-17(25)23-7-9-24(10-8-23)20(28)16-2-1-11-29-16/h1-6,11H,7-10,12-13H2,(H,22,27).
What are the key properties of [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate?
[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate has a molecular weight of 478.30 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate is sourced from PubChem (CID 29154616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).