N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-5-bromofuran-2-carboxamide

C13H16BrN3O4 — CID 24685948

IUPACN-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-5-bromofuran-2-carboxamide
SMILESCC(=O)N1CCN(C(=O)CNC(=O)c2ccc(Br)o2)CC1
InChIInChI=1S/C13H16BrN3O4/c1-9(18)16-4-6-17(7-5-16)12(19)8-15-13(20)10-2-3-11(14)21-10/h2-3H,4-8H2,1H3,(H,15,20)
InChIKeyAGYBMJQVYGGNDS-UHFFFAOYSA-N
MW358.19 g/mol
LogP0.46
Rot. Bonds3

About N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-5-bromofuran-2-carboxamide

N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-5-bromofuran-2-carboxamide (PubChem CID 24685948) has the molecular formula C13H16BrN3O4 and a molecular weight of 358.19 g/mol. Its IUPAC name is N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-5-bromofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-5-bromofuran-2-carboxamide
PubChem CID24685948
Molecular FormulaC13H16BrN3O4
Molecular Weight358.19 g/mol
Exact Mass357.03
IUPAC NameN-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-5-bromofuran-2-carboxamide
SMILESCC(=O)N1CCN(C(=O)CNC(=O)c2ccc(Br)o2)CC1
InChIInChI=1S/C13H16BrN3O4/c1-9(18)16-4-6-17(7-5-16)12(19)8-15-13(20)10-2-3-11(14)21-10/h2-3H,4-8H2,1H3,(H,15,20)
InChIKeyAGYBMJQVYGGNDS-UHFFFAOYSA-N
XLogP0.46
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.19
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-5-bromofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 550206
CID 550206
CID 762331
CID 762331
CID 565340
CID 565340
CID 655116
CID 655116
CID 694979
CID 694979
CID 1769743
CID 1769743
CID 3440389
CID 3440389
CID 3158289
CID 3158289
CID 673585
CID 673585
CID 12289910
CID 12289910
CID 1770747
CID 1770747
CID 2574277
CID 2574277

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-5-bromofuran-2-carboxamide?
The IUPAC name of N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-5-bromofuran-2-carboxamide (CID 24685948) is N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-5-bromofuran-2-carboxamide.
What is the SMILES notation for N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-5-bromofuran-2-carboxamide?
The canonical SMILES for N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-5-bromofuran-2-carboxamide is CC(=O)N1CCN(C(=O)CNC(=O)c2ccc(Br)o2)CC1.
What is the InChIKey of N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-5-bromofuran-2-carboxamide?
The InChIKey is AGYBMJQVYGGNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O4/c1-9(18)16-4-6-17(7-5-16)12(19)8-15-13(20)10-2-3-11(14)21-10/h2-3H,4-8H2,1H3,(H,15,20).
What are the key properties of N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-5-bromofuran-2-carboxamide?
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-5-bromofuran-2-carboxamide has a molecular weight of 358.19 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-5-bromofuran-2-carboxamide is sourced from PubChem (CID 24685948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).