4-(4-fluoro-3-nitroanilino)piperidine-1-carboxamide

C12H15FN4O3 — CID 43785719

IUPAC4-(4-fluoro-3-nitroanilino)piperidine-1-carboxamide
SMILESNC(=O)N1CCC(Nc2ccc(F)c([N+](=O)[O-])c2)CC1
InChIInChI=1S/C12H15FN4O3/c13-10-2-1-9(7-11(10)17(19)20)15-8-3-5-16(6-4-8)12(14)18/h1-2,7-8,15H,3-6H2,(H2,14,18)
InChIKeyWNHQTLUQAIUXPB-UHFFFAOYSA-N
MW282.28 g/mol
LogP1.69
Rot. Bonds3

About 4-(4-fluoro-3-nitroanilino)piperidine-1-carboxamide

4-(4-fluoro-3-nitroanilino)piperidine-1-carboxamide (PubChem CID 43785719) has the molecular formula C12H15FN4O3 and a molecular weight of 282.28 g/mol. Its IUPAC name is 4-(4-fluoro-3-nitroanilino)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(4-fluoro-3-nitroanilino)piperidine-1-carboxamide
PubChem CID43785719
Molecular FormulaC12H15FN4O3
Molecular Weight282.28 g/mol
Exact Mass282.11
IUPAC Name4-(4-fluoro-3-nitroanilino)piperidine-1-carboxamide
SMILESNC(=O)N1CCC(Nc2ccc(F)c([N+](=O)[O-])c2)CC1
InChIInChI=1S/C12H15FN4O3/c13-10-2-1-9(7-11(10)17(19)20)15-8-3-5-16(6-4-8)12(14)18/h1-2,7-8,15H,3-6H2,(H2,14,18)
InChIKeyWNHQTLUQAIUXPB-UHFFFAOYSA-N
XLogP1.69
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.28
LogP ≤ 51.69
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-(4-methyl-3-nitroanilino)piperidine-1-carboxamide
CID 43785542
N-(4-fluoro-3-nitrophenyl)-1-propan-2-ylpiperidin-4-amine
CID 43719255
1-ethyl-N-(4-fluoro-3-nitrophenyl)piperidin-4-amine
CID 43719257
tert-butyl 4-(4-fluoro-3-nitroanilino)azepane-1-carboxylate
CID 113361471
N-(4-fluoro-3-nitrophenyl)-1,1-dioxothian-4-amine
CID 43719371
N-(4-fluoro-3-nitrophenyl)thian-4-amine
CID 43719372
4-(5-methyl-2-nitroanilino)piperidine-1-carboxamide
CID 115912396
4-(3,5-difluoroanilino)piperidine-1-carboxamide
CID 43765044
N-(4-fluoro-3-nitrophenyl)-1,1-dioxothiolan-3-amine
CID 60708678
4-(3,4-difluoroanilino)piperidine-1-carboxylic acid
CID 123726968
4-(3-carbamoyl-4-chloroanilino)piperidine-1-carboxamide
CID 43784539
4-(3-hydroxy-4-methylanilino)piperidine-1-carboxamide
CID 107700221

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-3-nitroanilino)piperidine-1-carboxamide?
The IUPAC name of 4-(4-fluoro-3-nitroanilino)piperidine-1-carboxamide (CID 43785719) is 4-(4-fluoro-3-nitroanilino)piperidine-1-carboxamide.
What is the SMILES notation for 4-(4-fluoro-3-nitroanilino)piperidine-1-carboxamide?
The canonical SMILES for 4-(4-fluoro-3-nitroanilino)piperidine-1-carboxamide is NC(=O)N1CCC(Nc2ccc(F)c([N+](=O)[O-])c2)CC1.
What is the InChIKey of 4-(4-fluoro-3-nitroanilino)piperidine-1-carboxamide?
The InChIKey is WNHQTLUQAIUXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4O3/c13-10-2-1-9(7-11(10)17(19)20)15-8-3-5-16(6-4-8)12(14)18/h1-2,7-8,15H,3-6H2,(H2,14,18).
What are the key properties of 4-(4-fluoro-3-nitroanilino)piperidine-1-carboxamide?
4-(4-fluoro-3-nitroanilino)piperidine-1-carboxamide has a molecular weight of 282.28 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-3-nitroanilino)piperidine-1-carboxamide is sourced from PubChem (CID 43785719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).