N-[2-(4-benzyl-3-ethylpiperazin-1-yl)-2-oxoethyl]-5-bromofuran-2-carboxamide

C20H24BrN3O3 — CID 86791126

IUPACN-[2-(4-benzyl-3-ethylpiperazin-1-yl)-2-oxoethyl]-5-bromofuran-2-carboxamide
SMILESCCC1CN(C(=O)CNC(=O)c2ccc(Br)o2)CCN1Cc1ccccc1
InChIInChI=1S/C20H24BrN3O3/c1-2-16-14-24(11-10-23(16)13-15-6-4-3-5-7-15)19(25)12-22-20(26)17-8-9-18(21)27-17/h3-9,16H,2,10-14H2,1H3,(H,22,26)
InChIKeyAJNYFPKKAZQJMR-UHFFFAOYSA-N
MW434.33 g/mol
LogP2.89
Rot. Bonds6

About N-[2-(4-benzyl-3-ethylpiperazin-1-yl)-2-oxoethyl]-5-bromofuran-2-carboxamide

N-[2-(4-benzyl-3-ethylpiperazin-1-yl)-2-oxoethyl]-5-bromofuran-2-carboxamide (PubChem CID 86791126) has the molecular formula C20H24BrN3O3 and a molecular weight of 434.33 g/mol. Its IUPAC name is N-[2-(4-benzyl-3-ethylpiperazin-1-yl)-2-oxoethyl]-5-bromofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-benzyl-3-ethylpiperazin-1-yl)-2-oxoethyl]-5-bromofuran-2-carboxamide
PubChem CID86791126
Molecular FormulaC20H24BrN3O3
Molecular Weight434.33 g/mol
Exact Mass433.10
IUPAC NameN-[2-(4-benzyl-3-ethylpiperazin-1-yl)-2-oxoethyl]-5-bromofuran-2-carboxamide
SMILESCCC1CN(C(=O)CNC(=O)c2ccc(Br)o2)CCN1Cc1ccccc1
InChIInChI=1S/C20H24BrN3O3/c1-2-16-14-24(11-10-23(16)13-15-6-4-3-5-7-15)19(25)12-22-20(26)17-8-9-18(21)27-17/h3-9,16H,2,10-14H2,1H3,(H,22,26)
InChIKeyAJNYFPKKAZQJMR-UHFFFAOYSA-N
XLogP2.89
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.33
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]furan-2-carboxamide
CID 51161739
3-[(4-benzyl-3-ethylpiperazine-1-carbonyl)amino]propanoic acid
CID 122017912
methyl 1-[2-[(5-bromofuran-2-carbonyl)amino]acetyl]piperidine-4-carboxylate
CID 51166514
4-benzyl-3-ethyl-1-[2-(methylamino)acetyl]-1,4-diazepan-5-one
CID 56874749
5-bromo-N-[2-oxo-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]furan-2-carboxamide
CID 24644287
5-bromo-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 7494653
5-bromo-N-[2-(3-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]furan-2-carboxamide
CID 115875368
5-bromo-N-[2-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 56580342
4-[[(4-benzyl-3-propylpiperazine-1-carbonyl)amino]methyl]benzoic acid
CID 122020879
5-bromo-N-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]furan-2-carboxamide
CID 47102374
5-bromo-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]furan-2-carboxamide
CID 2453360
5-bromo-N-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 61408960

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzyl-3-ethylpiperazin-1-yl)-2-oxoethyl]-5-bromofuran-2-carboxamide?
The IUPAC name of N-[2-(4-benzyl-3-ethylpiperazin-1-yl)-2-oxoethyl]-5-bromofuran-2-carboxamide (CID 86791126) is N-[2-(4-benzyl-3-ethylpiperazin-1-yl)-2-oxoethyl]-5-bromofuran-2-carboxamide.
What is the SMILES notation for N-[2-(4-benzyl-3-ethylpiperazin-1-yl)-2-oxoethyl]-5-bromofuran-2-carboxamide?
The canonical SMILES for N-[2-(4-benzyl-3-ethylpiperazin-1-yl)-2-oxoethyl]-5-bromofuran-2-carboxamide is CCC1CN(C(=O)CNC(=O)c2ccc(Br)o2)CCN1Cc1ccccc1.
What is the InChIKey of N-[2-(4-benzyl-3-ethylpiperazin-1-yl)-2-oxoethyl]-5-bromofuran-2-carboxamide?
The InChIKey is AJNYFPKKAZQJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrN3O3/c1-2-16-14-24(11-10-23(16)13-15-6-4-3-5-7-15)19(25)12-22-20(26)17-8-9-18(21)27-17/h3-9,16H,2,10-14H2,1H3,(H,22,26).
What are the key properties of N-[2-(4-benzyl-3-ethylpiperazin-1-yl)-2-oxoethyl]-5-bromofuran-2-carboxamide?
N-[2-(4-benzyl-3-ethylpiperazin-1-yl)-2-oxoethyl]-5-bromofuran-2-carboxamide has a molecular weight of 434.33 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzyl-3-ethylpiperazin-1-yl)-2-oxoethyl]-5-bromofuran-2-carboxamide is sourced from PubChem (CID 86791126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).