[2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate

C20H21N3O6 — CID 8909190

IUPAC[2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate
SMILESCC(=O)N1CCN(C(=O)COC(=O)c2ccc(NC(=O)c3ccco3)cc2)CC1
InChIInChI=1S/C20H21N3O6/c1-14(24)22-8-10-23(11-9-22)18(25)13-29-20(27)15-4-6-16(7-5-15)21-19(26)17-3-2-12-28-17/h2-7,12H,8-11,13H2,1H3,(H,21,26)
InChIKeyDARVWQDKPUDTLC-UHFFFAOYSA-N
MW399.40 g/mol
LogP1.38
Rot. Bonds5

About [2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate

[2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate (PubChem CID 8909190) has the molecular formula C20H21N3O6 and a molecular weight of 399.40 g/mol. Its IUPAC name is [2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate.

Molecular Properties

Compound Name[2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate
PubChem CID8909190
Molecular FormulaC20H21N3O6
Molecular Weight399.40 g/mol
Exact Mass399.14
IUPAC Name[2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate
SMILESCC(=O)N1CCN(C(=O)COC(=O)c2ccc(NC(=O)c3ccco3)cc2)CC1
InChIInChI=1S/C20H21N3O6/c1-14(24)22-8-10-23(11-9-22)18(25)13-29-20(27)15-4-6-16(7-5-15)21-19(26)17-3-2-12-28-17/h2-7,12H,8-11,13H2,1H3,(H,21,26)
InChIKeyDARVWQDKPUDTLC-UHFFFAOYSA-N
XLogP1.38
TPSA109.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.40
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate with MolForge

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Related Compounds

[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate
CID 7734234
[2-(methylamino)-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate
CID 8909209
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate
CID 8909247
[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-hydroxybenzoate
CID 2388350
[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 4-(furan-2-carbonylamino)benzoate
CID 8909155
2-(dimethylamino)ethyl 4-(furan-2-carbonylamino)benzoate
CID 17296731
hexyl 4-(furan-2-carbonylamino)benzoate
CID 19170342
heptyl 4-(furan-2-carbonylamino)benzoate
CID 565794
N-[4-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethoxy]phenyl]acetamide
CID 91937739
N-[4-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide
CID 43038549
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-[4-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 9035306

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate?
The IUPAC name of [2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate (CID 8909190) is [2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate.
What is the SMILES notation for [2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate?
The canonical SMILES for [2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate is CC(=O)N1CCN(C(=O)COC(=O)c2ccc(NC(=O)c3ccco3)cc2)CC1.
What is the InChIKey of [2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate?
The InChIKey is DARVWQDKPUDTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O6/c1-14(24)22-8-10-23(11-9-22)18(25)13-29-20(27)15-4-6-16(7-5-15)21-19(26)17-3-2-12-28-17/h2-7,12H,8-11,13H2,1H3,(H,21,26).
What are the key properties of [2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate?
[2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate has a molecular weight of 399.40 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate is sourced from PubChem (CID 8909190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).