N-[[4-(4-benzylpiperidin-1-yl)-3-fluorophenyl]methyl]-5-nitrofuran-2-carboxamide

C24H24FN3O4 — CID 5275300

IUPACN-[[4-(4-benzylpiperidin-1-yl)-3-fluorophenyl]methyl]-5-nitrofuran-2-carboxamide
SMILESO=C(NCc1ccc(N2CCC(Cc3ccccc3)CC2)c(F)c1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C24H24FN3O4/c25-20-15-19(16-26-24(29)22-8-9-23(32-22)28(30)31)6-7-21(20)27-12-10-18(11-13-27)14-17-4-2-1-3-5-17/h1-9,15,18H,10-14,16H2,(H,26,29)
InChIKeyLBIPOSZDSWPRRL-UHFFFAOYSA-N
MW437.47 g/mol
LogP4.72
Rot. Bonds7

About N-[[4-(4-benzylpiperidin-1-yl)-3-fluorophenyl]methyl]-5-nitrofuran-2-carboxamide

N-[[4-(4-benzylpiperidin-1-yl)-3-fluorophenyl]methyl]-5-nitrofuran-2-carboxamide (PubChem CID 5275300) has the molecular formula C24H24FN3O4 and a molecular weight of 437.47 g/mol. Its IUPAC name is N-[[4-(4-benzylpiperidin-1-yl)-3-fluorophenyl]methyl]-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(4-benzylpiperidin-1-yl)-3-fluorophenyl]methyl]-5-nitrofuran-2-carboxamide
PubChem CID5275300
Molecular FormulaC24H24FN3O4
Molecular Weight437.47 g/mol
Exact Mass437.18
IUPAC NameN-[[4-(4-benzylpiperidin-1-yl)-3-fluorophenyl]methyl]-5-nitrofuran-2-carboxamide
SMILESO=C(NCc1ccc(N2CCC(Cc3ccccc3)CC2)c(F)c1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C24H24FN3O4/c25-20-15-19(16-26-24(29)22-8-9-23(32-22)28(30)31)6-7-21(20)27-12-10-18(11-13-27)14-17-4-2-1-3-5-17/h1-9,15,18H,10-14,16H2,(H,26,29)
InChIKeyLBIPOSZDSWPRRL-UHFFFAOYSA-N
XLogP4.72
TPSA88.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.47
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 N-[[4-(4-benzylpiperidin-1-yl)-3-fluorophenyl]methyl]-5-nitrofuran-2-carboxamide?
The IUPAC name of N-[[4-(4-benzylpiperidin-1-yl)-3-fluorophenyl]methyl]-5-nitrofuran-2-carboxamide (CID 5275300) is N-[[4-(4-benzylpiperidin-1-yl)-3-fluorophenyl]methyl]-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-[[4-(4-benzylpiperidin-1-yl)-3-fluorophenyl]methyl]-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-[[4-(4-benzylpiperidin-1-yl)-3-fluorophenyl]methyl]-5-nitrofuran-2-carboxamide is O=C(NCc1ccc(N2CCC(Cc3ccccc3)CC2)c(F)c1)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of N-[[4-(4-benzylpiperidin-1-yl)-3-fluorophenyl]methyl]-5-nitrofuran-2-carboxamide?
The InChIKey is LBIPOSZDSWPRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O4/c25-20-15-19(16-26-24(29)22-8-9-23(32-22)28(30)31)6-7-21(20)27-12-10-18(11-13-27)14-17-4-2-1-3-5-17/h1-9,15,18H,10-14,16H2,(H,26,29).
What are the key properties of N-[[4-(4-benzylpiperidin-1-yl)-3-fluorophenyl]methyl]-5-nitrofuran-2-carboxamide?
N-[[4-(4-benzylpiperidin-1-yl)-3-fluorophenyl]methyl]-5-nitrofuran-2-carboxamide has a molecular weight of 437.47 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-benzylpiperidin-1-yl)-3-fluorophenyl]methyl]-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 5275300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).