2-[6-(4-benzylpiperazine-1-carbonyl)-2-benzofuran-1-yl]-2-oxoacetamide

C22H21N3O4 — CID 71218140

IUPAC2-[6-(4-benzylpiperazine-1-carbonyl)-2-benzofuran-1-yl]-2-oxoacetamide
SMILESNC(=O)C(=O)c1occ2ccc(C(=O)N3CCN(Cc4ccccc4)CC3)cc12
InChIInChI=1S/C22H21N3O4/c23-21(27)19(26)20-18-12-16(6-7-17(18)14-29-20)22(28)25-10-8-24(9-11-25)13-15-4-2-1-3-5-15/h1-7,12,14H,8-11,13H2,(H2,23,27)
InChIKeyVLIHZPDKDWTYJJ-UHFFFAOYSA-N
MW391.43 g/mol
LogP2.06
Rot. Bonds5

About 2-[6-(4-benzylpiperazine-1-carbonyl)-2-benzofuran-1-yl]-2-oxoacetamide

2-[6-(4-benzylpiperazine-1-carbonyl)-2-benzofuran-1-yl]-2-oxoacetamide (PubChem CID 71218140) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is 2-[6-(4-benzylpiperazine-1-carbonyl)-2-benzofuran-1-yl]-2-oxoacetamide.

Molecular Properties

Compound Name2-[6-(4-benzylpiperazine-1-carbonyl)-2-benzofuran-1-yl]-2-oxoacetamide
PubChem CID71218140
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC Name2-[6-(4-benzylpiperazine-1-carbonyl)-2-benzofuran-1-yl]-2-oxoacetamide
SMILESNC(=O)C(=O)c1occ2ccc(C(=O)N3CCN(Cc4ccccc4)CC3)cc12
InChIInChI=1S/C22H21N3O4/c23-21(27)19(26)20-18-12-16(6-7-17(18)14-29-20)22(28)25-10-8-24(9-11-25)13-15-4-2-1-3-5-15/h1-7,12,14H,8-11,13H2,(H2,23,27)
InChIKeyVLIHZPDKDWTYJJ-UHFFFAOYSA-N
XLogP2.06
TPSA96.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 2-[6-(4-benzylpiperazine-1-carbonyl)-2-benzofuran-1-yl]-2-oxoacetamide 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

(1-benzyl-2,3-dimethylindol-5-yl)-(4-benzylpiperazin-1-yl)methanone
CID 1040631
1,3-benzodioxol-5-yl-(4-benzylpiperazin-1-yl)methanone
CID 803605
(3-aminophenyl)-(4-benzylpiperazin-1-yl)methanone;dihydrochloride
CID 119826758
(4-benzylpiperazin-1-yl)-(2-methyl-1,3-benzoxazol-6-yl)methanone
CID 110765233
(4-benzyl-1,4-diazepan-1-yl)-(3,4-dichlorophenyl)methanone
CID 23969197
(4-benzylpiperazin-1-yl)-(3-pyrrol-1-ylphenyl)methanone
CID 17462290
5-(4-benzylpiperazine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one
CID 110692320
(4-benzylpiperazin-1-yl)-[4-(1,3,4-oxadiazol-2-yl)phenyl]methanone
CID 9071302
5-(4-benzylpiperazine-1-carbonyl)-3-ethyl-1,3-benzoxazol-2-one
CID 53067164
4-(4-benzylpiperazine-1-carbonyl)-1H-pyridin-2-one
CID 110600792
(4-benzylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride
CID 110755805
(4-benzylpiperazin-1-yl)-(1-methylbenzimidazol-5-yl)methanone
CID 95967887

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-benzylpiperazine-1-carbonyl)-2-benzofuran-1-yl]-2-oxoacetamide?
The IUPAC name of 2-[6-(4-benzylpiperazine-1-carbonyl)-2-benzofuran-1-yl]-2-oxoacetamide (CID 71218140) is 2-[6-(4-benzylpiperazine-1-carbonyl)-2-benzofuran-1-yl]-2-oxoacetamide.
What is the SMILES notation for 2-[6-(4-benzylpiperazine-1-carbonyl)-2-benzofuran-1-yl]-2-oxoacetamide?
The canonical SMILES for 2-[6-(4-benzylpiperazine-1-carbonyl)-2-benzofuran-1-yl]-2-oxoacetamide is NC(=O)C(=O)c1occ2ccc(C(=O)N3CCN(Cc4ccccc4)CC3)cc12.
What is the InChIKey of 2-[6-(4-benzylpiperazine-1-carbonyl)-2-benzofuran-1-yl]-2-oxoacetamide?
The InChIKey is VLIHZPDKDWTYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4/c23-21(27)19(26)20-18-12-16(6-7-17(18)14-29-20)22(28)25-10-8-24(9-11-25)13-15-4-2-1-3-5-15/h1-7,12,14H,8-11,13H2,(H2,23,27).
What are the key properties of 2-[6-(4-benzylpiperazine-1-carbonyl)-2-benzofuran-1-yl]-2-oxoacetamide?
2-[6-(4-benzylpiperazine-1-carbonyl)-2-benzofuran-1-yl]-2-oxoacetamide has a molecular weight of 391.43 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-benzylpiperazine-1-carbonyl)-2-benzofuran-1-yl]-2-oxoacetamide is sourced from PubChem (CID 71218140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).