4-N-(4-fluoro-3-nitrophenyl)-1-N-phenylpiperidine-1,4-dicarboxamide

C19H19FN4O4 — CID 7478520

IUPAC4-N-(4-fluoro-3-nitrophenyl)-1-N-phenylpiperidine-1,4-dicarboxamide
SMILESO=C(Nc1ccc(F)c([N+](=O)[O-])c1)C1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C19H19FN4O4/c20-16-7-6-15(12-17(16)24(27)28)21-18(25)13-8-10-23(11-9-13)19(26)22-14-4-2-1-3-5-14/h1-7,12-13H,8-11H2,(H,21,25)(H,22,26)
InChIKeyAKQSPJJTJXAYJF-UHFFFAOYSA-N
MW386.38 g/mol
LogP3.62
Rot. Bonds4

About 4-N-(4-fluoro-3-nitrophenyl)-1-N-phenylpiperidine-1,4-dicarboxamide

4-N-(4-fluoro-3-nitrophenyl)-1-N-phenylpiperidine-1,4-dicarboxamide (PubChem CID 7478520) has the molecular formula C19H19FN4O4 and a molecular weight of 386.38 g/mol. Its IUPAC name is 4-N-(4-fluoro-3-nitrophenyl)-1-N-phenylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(4-fluoro-3-nitrophenyl)-1-N-phenylpiperidine-1,4-dicarboxamide
PubChem CID7478520
Molecular FormulaC19H19FN4O4
Molecular Weight386.38 g/mol
Exact Mass386.14
IUPAC Name4-N-(4-fluoro-3-nitrophenyl)-1-N-phenylpiperidine-1,4-dicarboxamide
SMILESO=C(Nc1ccc(F)c([N+](=O)[O-])c1)C1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C19H19FN4O4/c20-16-7-6-15(12-17(16)24(27)28)21-18(25)13-8-10-23(11-9-13)19(26)22-14-4-2-1-3-5-14/h1-7,12-13H,8-11H2,(H,21,25)(H,22,26)
InChIKeyAKQSPJJTJXAYJF-UHFFFAOYSA-N
XLogP3.62
TPSA104.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.38
LogP ≤ 53.62
H-Bond Donors ≤ 52
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

4-N-(3,4-dichlorophenyl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 26577149
1-N-phenyl-4-N-(2,3,4-trifluorophenyl)piperidine-1,4-dicarboxamide
CID 113008926
(2R)-2-N-(4-acetamidophenyl)-1-N-(4-fluoro-3-nitrophenyl)pyrrolidine-1,2-dicarboxamide
CID 1443606
3-amino-N-(4-fluoro-3-nitrophenyl)cyclopentane-1-carboxamide
CID 66010185
1-(2,5-difluorobenzoyl)-N-phenylpiperidine-4-carboxamide
CID 46808218
4-benzoyl-N-(4-nitrophenyl)piperidine-1-carboxamide
CID 134049478
N-(3-fluoro-4-nitrophenyl)piperidine-1-carboxamide
CID 116657035
4-N-(3-hydroxy-4-methoxyphenyl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 7478742
N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 55722368
1-(4-fluoro-5-methoxy-2-nitrophenyl)-N-phenylpiperidine-4-carboxamide
CID 133373091
4-N-(4-methyl-3-sulfamoylphenyl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 55363749
1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 2113074

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-fluoro-3-nitrophenyl)-1-N-phenylpiperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-(4-fluoro-3-nitrophenyl)-1-N-phenylpiperidine-1,4-dicarboxamide (CID 7478520) is 4-N-(4-fluoro-3-nitrophenyl)-1-N-phenylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(4-fluoro-3-nitrophenyl)-1-N-phenylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-(4-fluoro-3-nitrophenyl)-1-N-phenylpiperidine-1,4-dicarboxamide is O=C(Nc1ccc(F)c([N+](=O)[O-])c1)C1CCN(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 4-N-(4-fluoro-3-nitrophenyl)-1-N-phenylpiperidine-1,4-dicarboxamide?
The InChIKey is AKQSPJJTJXAYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O4/c20-16-7-6-15(12-17(16)24(27)28)21-18(25)13-8-10-23(11-9-13)19(26)22-14-4-2-1-3-5-14/h1-7,12-13H,8-11H2,(H,21,25)(H,22,26).
What are the key properties of 4-N-(4-fluoro-3-nitrophenyl)-1-N-phenylpiperidine-1,4-dicarboxamide?
4-N-(4-fluoro-3-nitrophenyl)-1-N-phenylpiperidine-1,4-dicarboxamide has a molecular weight of 386.38 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-fluoro-3-nitrophenyl)-1-N-phenylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 7478520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).