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

C19H19FN2O4 — CID 42844155

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

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

[3-[(3-fluorophenyl)methoxy]piperidin-1-yl]-(4-nitrophenyl)methanone (PubChem CID 42844155) has the molecular formula C19H19FN2O4 and a molecular weight of 358.37 g/mol. Its IUPAC name is [3-[(3-fluorophenyl)methoxy]piperidin-1-yl]-(4-nitrophenyl)methanone.

Molecular Properties

Compound Name[3-[(3-fluorophenyl)methoxy]piperidin-1-yl]-(4-nitrophenyl)methanone
PubChem CID42844155
Molecular FormulaC19H19FN2O4
Molecular Weight358.37 g/mol
Exact Mass358.13
IUPAC Name[3-[(3-fluorophenyl)methoxy]piperidin-1-yl]-(4-nitrophenyl)methanone
SMILESO=C(c1ccc([N+](=O)[O-])cc1)N1CCCC(OCc2cccc(F)c2)C1
InChIInChI=1S/C19H19FN2O4/c20-16-4-1-3-14(11-16)13-26-18-5-2-10-21(12-18)19(23)15-6-8-17(9-7-15)22(24)25/h1,3-4,6-9,11,18H,2,5,10,12-13H2
InChIKeyVXWRBCKRORMRJW-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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Related Compounds

[3-[(3-fluorophenyl)methoxy]piperidin-1-yl]-(4-methylphenyl)methanone
CID 42844148
(4-methylphenyl)-[3-[(3-nitrophenyl)methoxy]piperidin-1-yl]methanone
CID 46028932
[(3R)-3-[(2,4-difluorophenyl)methoxy]piperidin-1-yl]-(4-nitrophenyl)methanone
CID 93223537
(3,4-dichlorophenyl)-[3-[(3-fluorophenyl)methoxy]piperidin-1-yl]methanone
CID 42844152
(4-nitrophenyl)-(4-phenylmethoxypiperidin-1-yl)methanone
CID 12806999
[3-[(3,5-difluorophenyl)methoxy]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 46028989
(4-chlorophenyl)-[(3S)-3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]methanone
CID 93223653
[(3S)-3-[(2,5-difluorophenyl)methoxy]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 93223806
(3-chlorophenyl)-[3-[(3-chlorophenyl)methoxy]piperidin-1-yl]methanone
CID 46028796
(3-fluorophenyl)-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]methanone
CID 46028680
[3-[(3-chlorophenyl)methoxy]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 46028783
[(3S)-3-[[3-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 93223765

Frequently Asked Questions

What is the IUPAC name of [3-[(3-fluorophenyl)methoxy]piperidin-1-yl]-(4-nitrophenyl)methanone?
The IUPAC name of [3-[(3-fluorophenyl)methoxy]piperidin-1-yl]-(4-nitrophenyl)methanone (CID 42844155) is [3-[(3-fluorophenyl)methoxy]piperidin-1-yl]-(4-nitrophenyl)methanone.
What is the SMILES notation for [3-[(3-fluorophenyl)methoxy]piperidin-1-yl]-(4-nitrophenyl)methanone?
The canonical SMILES for [3-[(3-fluorophenyl)methoxy]piperidin-1-yl]-(4-nitrophenyl)methanone is O=C(c1ccc([N+](=O)[O-])cc1)N1CCCC(OCc2cccc(F)c2)C1.
What is the InChIKey of [3-[(3-fluorophenyl)methoxy]piperidin-1-yl]-(4-nitrophenyl)methanone?
The InChIKey is VXWRBCKRORMRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O4/c20-16-4-1-3-14(11-16)13-26-18-5-2-10-21(12-18)19(23)15-6-8-17(9-7-15)22(24)25/h1,3-4,6-9,11,18H,2,5,10,12-13H2.
What are the key properties of [3-[(3-fluorophenyl)methoxy]piperidin-1-yl]-(4-nitrophenyl)methanone?
[3-[(3-fluorophenyl)methoxy]piperidin-1-yl]-(4-nitrophenyl)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 [3-[(3-fluorophenyl)methoxy]piperidin-1-yl]-(4-nitrophenyl)methanone is sourced from PubChem (CID 42844155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).