(4-fluorophenyl)-[3-[(3-nitrophenyl)methoxy]piperidin-1-yl]methanone

C19H19FN2O4 — CID 46028925

IUPAC(4-fluorophenyl)-[3-[(3-nitrophenyl)methoxy]piperidin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCCC(OCc2cccc([N+](=O)[O-])c2)C1
InChIInChI=1S/C19H19FN2O4/c20-16-8-6-15(7-9-16)19(23)21-10-2-5-18(12-21)26-13-14-3-1-4-17(11-14)22(24)25/h1,3-4,6-9,11,18H,2,5,10,12-13H2
InChIKeyQNUULYUIGTUVNC-UHFFFAOYSA-N
MW358.37 g/mol
LogP3.56
Rot. Bonds5

About (4-fluorophenyl)-[3-[(3-nitrophenyl)methoxy]piperidin-1-yl]methanone

(4-fluorophenyl)-[3-[(3-nitrophenyl)methoxy]piperidin-1-yl]methanone (PubChem CID 46028925) has the molecular formula C19H19FN2O4 and a molecular weight of 358.37 g/mol. Its IUPAC name is (4-fluorophenyl)-[3-[(3-nitrophenyl)methoxy]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[3-[(3-nitrophenyl)methoxy]piperidin-1-yl]methanone
PubChem CID46028925
Molecular FormulaC19H19FN2O4
Molecular Weight358.37 g/mol
Exact Mass358.13
IUPAC Name(4-fluorophenyl)-[3-[(3-nitrophenyl)methoxy]piperidin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCCC(OCc2cccc([N+](=O)[O-])c2)C1
InChIInChI=1S/C19H19FN2O4/c20-16-8-6-15(7-9-16)19(23)21-10-2-5-18(12-21)26-13-14-3-1-4-17(11-14)22(24)25/h1,3-4,6-9,11,18H,2,5,10,12-13H2
InChIKeyQNUULYUIGTUVNC-UHFFFAOYSA-N
XLogP3.56
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 (4-fluorophenyl)-[3-[(3-nitrophenyl)methoxy]piperidin-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[3-[(3-nitrophenyl)methoxy]piperidin-1-yl]methanone (CID 46028925) is (4-fluorophenyl)-[3-[(3-nitrophenyl)methoxy]piperidin-1-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[3-[(3-nitrophenyl)methoxy]piperidin-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[3-[(3-nitrophenyl)methoxy]piperidin-1-yl]methanone is O=C(c1ccc(F)cc1)N1CCCC(OCc2cccc([N+](=O)[O-])c2)C1.
What is the InChIKey of (4-fluorophenyl)-[3-[(3-nitrophenyl)methoxy]piperidin-1-yl]methanone?
The InChIKey is QNUULYUIGTUVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O4/c20-16-8-6-15(7-9-16)19(23)21-10-2-5-18(12-21)26-13-14-3-1-4-17(11-14)22(24)25/h1,3-4,6-9,11,18H,2,5,10,12-13H2.
What are the key properties of (4-fluorophenyl)-[3-[(3-nitrophenyl)methoxy]piperidin-1-yl]methanone?
(4-fluorophenyl)-[3-[(3-nitrophenyl)methoxy]piperidin-1-yl]methanone has a molecular weight of 358.37 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[3-[(3-nitrophenyl)methoxy]piperidin-1-yl]methanone is sourced from PubChem (CID 46028925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).