2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2-methoxy-4-nitrophenyl)acetamide

C18H20N4O6 — CID 3212840

IUPAC2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2-methoxy-4-nitrophenyl)acetamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C18H20N4O6/c1-27-16-11-13(22(25)26)4-5-14(16)19-17(23)12-20-6-8-21(9-7-20)18(24)15-3-2-10-28-15/h2-5,10-11H,6-9,12H2,1H3,(H,19,23)
InChIKeyQMTRUIFIEDYCEY-UHFFFAOYSA-N
MW388.38 g/mol
LogP1.59
Rot. Bonds6

About 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2-methoxy-4-nitrophenyl)acetamide

2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2-methoxy-4-nitrophenyl)acetamide (PubChem CID 3212840) has the molecular formula C18H20N4O6 and a molecular weight of 388.38 g/mol. Its IUPAC name is 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2-methoxy-4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2-methoxy-4-nitrophenyl)acetamide
PubChem CID3212840
Molecular FormulaC18H20N4O6
Molecular Weight388.38 g/mol
Exact Mass388.14
IUPAC Name2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2-methoxy-4-nitrophenyl)acetamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C18H20N4O6/c1-27-16-11-13(22(25)26)4-5-14(16)19-17(23)12-20-6-8-21(9-7-20)18(24)15-3-2-10-28-15/h2-5,10-11H,6-9,12H2,1H3,(H,19,23)
InChIKeyQMTRUIFIEDYCEY-UHFFFAOYSA-N
XLogP1.59
TPSA118.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.38
LogP ≤ 51.59
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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Frequently Asked Questions

What is the IUPAC name of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2-methoxy-4-nitrophenyl)acetamide?
The IUPAC name of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2-methoxy-4-nitrophenyl)acetamide (CID 3212840) is 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2-methoxy-4-nitrophenyl)acetamide.
What is the SMILES notation for 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2-methoxy-4-nitrophenyl)acetamide?
The canonical SMILES for 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2-methoxy-4-nitrophenyl)acetamide is COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2-methoxy-4-nitrophenyl)acetamide?
The InChIKey is QMTRUIFIEDYCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O6/c1-27-16-11-13(22(25)26)4-5-14(16)19-17(23)12-20-6-8-21(9-7-20)18(24)15-3-2-10-28-15/h2-5,10-11H,6-9,12H2,1H3,(H,19,23).
What are the key properties of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2-methoxy-4-nitrophenyl)acetamide?
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2-methoxy-4-nitrophenyl)acetamide has a molecular weight of 388.38 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2-methoxy-4-nitrophenyl)acetamide is sourced from PubChem (CID 3212840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).