5-nitro-N-(4-piperidin-1-ylphenyl)furan-2-carboxamide

C16H17N3O4 — CID 774956

IUPAC5-nitro-N-(4-piperidin-1-ylphenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)cc1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C16H17N3O4/c20-16(14-8-9-15(23-14)19(21)22)17-12-4-6-13(7-5-12)18-10-2-1-3-11-18/h4-9H,1-3,10-11H2,(H,17,20)
InChIKeyYEPWBSMHUNEEFV-UHFFFAOYSA-N
MW315.33 g/mol
LogP3.43
Rot. Bonds4

About 5-nitro-N-(4-piperidin-1-ylphenyl)furan-2-carboxamide

5-nitro-N-(4-piperidin-1-ylphenyl)furan-2-carboxamide (PubChem CID 774956) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is 5-nitro-N-(4-piperidin-1-ylphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-nitro-N-(4-piperidin-1-ylphenyl)furan-2-carboxamide
PubChem CID774956
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC Name5-nitro-N-(4-piperidin-1-ylphenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)cc1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C16H17N3O4/c20-16(14-8-9-15(23-14)19(21)22)17-12-4-6-13(7-5-12)18-10-2-1-3-11-18/h4-9H,1-3,10-11H2,(H,17,20)
InChIKeyYEPWBSMHUNEEFV-UHFFFAOYSA-N
XLogP3.43
TPSA88.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'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 5-nitro-N-(4-piperidin-1-ylphenyl)furan-2-carboxamide?
The IUPAC name of 5-nitro-N-(4-piperidin-1-ylphenyl)furan-2-carboxamide (CID 774956) is 5-nitro-N-(4-piperidin-1-ylphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-nitro-N-(4-piperidin-1-ylphenyl)furan-2-carboxamide?
The canonical SMILES for 5-nitro-N-(4-piperidin-1-ylphenyl)furan-2-carboxamide is O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of 5-nitro-N-(4-piperidin-1-ylphenyl)furan-2-carboxamide?
The InChIKey is YEPWBSMHUNEEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4/c20-16(14-8-9-15(23-14)19(21)22)17-12-4-6-13(7-5-12)18-10-2-1-3-11-18/h4-9H,1-3,10-11H2,(H,17,20).
What are the key properties of 5-nitro-N-(4-piperidin-1-ylphenyl)furan-2-carboxamide?
5-nitro-N-(4-piperidin-1-ylphenyl)furan-2-carboxamide has a molecular weight of 315.33 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-(4-piperidin-1-ylphenyl)furan-2-carboxamide is sourced from PubChem (CID 774956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).