N-(2-methoxydibenzofuran-3-yl)-2-[4-(2-nitrophenyl)piperazin-1-yl]acetamide

C25H24N4O5 — CID 27207510

IUPACN-(2-methoxydibenzofuran-3-yl)-2-[4-(2-nitrophenyl)piperazin-1-yl]acetamide
SMILESCOc1cc2c(cc1NC(=O)CN1CCN(c3ccccc3[N+](=O)[O-])CC1)oc1ccccc12
InChIInChI=1S/C25H24N4O5/c1-33-24-14-18-17-6-2-5-9-22(17)34-23(18)15-19(24)26-25(30)16-27-10-12-28(13-11-27)20-7-3-4-8-21(20)29(31)32/h2-9,14-15H,10-13,16H2,1H3,(H,26,30)
InChIKeyZVEUIWZHNZKOKX-UHFFFAOYSA-N
MW460.49 g/mol
LogP4.26
Rot. Bonds6

About N-(2-methoxydibenzofuran-3-yl)-2-[4-(2-nitrophenyl)piperazin-1-yl]acetamide

N-(2-methoxydibenzofuran-3-yl)-2-[4-(2-nitrophenyl)piperazin-1-yl]acetamide (PubChem CID 27207510) has the molecular formula C25H24N4O5 and a molecular weight of 460.49 g/mol. Its IUPAC name is N-(2-methoxydibenzofuran-3-yl)-2-[4-(2-nitrophenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methoxydibenzofuran-3-yl)-2-[4-(2-nitrophenyl)piperazin-1-yl]acetamide
PubChem CID27207510
Molecular FormulaC25H24N4O5
Molecular Weight460.49 g/mol
Exact Mass460.17
IUPAC NameN-(2-methoxydibenzofuran-3-yl)-2-[4-(2-nitrophenyl)piperazin-1-yl]acetamide
SMILESCOc1cc2c(cc1NC(=O)CN1CCN(c3ccccc3[N+](=O)[O-])CC1)oc1ccccc12
InChIInChI=1S/C25H24N4O5/c1-33-24-14-18-17-6-2-5-9-22(17)34-23(18)15-19(24)26-25(30)16-27-10-12-28(13-11-27)20-7-3-4-8-21(20)29(31)32/h2-9,14-15H,10-13,16H2,1H3,(H,26,30)
InChIKeyZVEUIWZHNZKOKX-UHFFFAOYSA-N
XLogP4.26
TPSA101.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.49
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxydibenzofuran-3-yl)-2-piperidin-1-ylacetamide
CID 2697422
N-(2-methoxydibenzofuran-3-yl)-2-(4-methylpiperidin-1-yl)acetamide
CID 2419747
N-(2-methoxydibenzofuran-3-yl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide
CID 26376611
N-(2-methoxydibenzofuran-3-yl)-2-(3-methylpiperidin-1-yl)acetamide
CID 4824461
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide
CID 15945394
N-(2-methoxyphenyl)-2-[4-(2-oxochromen-4-yl)piperazin-1-yl]acetamide
CID 72715202
N-(2-methoxydibenzofuran-3-yl)-3-methyl-4-nitrobenzamide
CID 2912279
methyl 4-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethoxy]-3-nitrobenzoate
CID 30122648
N-(2-methoxy-5-nitrophenyl)-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 8726259
2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 7962349
N-(2-methoxydibenzofuran-3-yl)-2-(6-nitroindazol-1-yl)acetamide
CID 18151469
N-(2-benzoylphenyl)-2-[4-(2-nitrophenyl)piperazin-1-yl]acetamide
CID 16555008

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxydibenzofuran-3-yl)-2-[4-(2-nitrophenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2-methoxydibenzofuran-3-yl)-2-[4-(2-nitrophenyl)piperazin-1-yl]acetamide (CID 27207510) is N-(2-methoxydibenzofuran-3-yl)-2-[4-(2-nitrophenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-methoxydibenzofuran-3-yl)-2-[4-(2-nitrophenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-methoxydibenzofuran-3-yl)-2-[4-(2-nitrophenyl)piperazin-1-yl]acetamide is COc1cc2c(cc1NC(=O)CN1CCN(c3ccccc3[N+](=O)[O-])CC1)oc1ccccc12.
What is the InChIKey of N-(2-methoxydibenzofuran-3-yl)-2-[4-(2-nitrophenyl)piperazin-1-yl]acetamide?
The InChIKey is ZVEUIWZHNZKOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O5/c1-33-24-14-18-17-6-2-5-9-22(17)34-23(18)15-19(24)26-25(30)16-27-10-12-28(13-11-27)20-7-3-4-8-21(20)29(31)32/h2-9,14-15H,10-13,16H2,1H3,(H,26,30).
What are the key properties of N-(2-methoxydibenzofuran-3-yl)-2-[4-(2-nitrophenyl)piperazin-1-yl]acetamide?
N-(2-methoxydibenzofuran-3-yl)-2-[4-(2-nitrophenyl)piperazin-1-yl]acetamide has a molecular weight of 460.49 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxydibenzofuran-3-yl)-2-[4-(2-nitrophenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 27207510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).