4-(2-aminophenyl)-N-(3-fluorophenyl)piperidine-1-carboxamide

C18H20FN3O — CID 170456870

IUPAC4-(2-aminophenyl)-N-(3-fluorophenyl)piperidine-1-carboxamide
SMILESNc1ccccc1C1CCN(C(=O)Nc2cccc(F)c2)CC1
InChIInChI=1S/C18H20FN3O/c19-14-4-3-5-15(12-14)21-18(23)22-10-8-13(9-11-22)16-6-1-2-7-17(16)20/h1-7,12-13H,8-11,20H2,(H,21,23)
InChIKeyGHEIXVNWCWIPBQ-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.82
Rot. Bonds2

About 4-(2-aminophenyl)-N-(3-fluorophenyl)piperidine-1-carboxamide

4-(2-aminophenyl)-N-(3-fluorophenyl)piperidine-1-carboxamide (PubChem CID 170456870) has the molecular formula C18H20FN3O and a molecular weight of 313.38 g/mol. Its IUPAC name is 4-(2-aminophenyl)-N-(3-fluorophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(2-aminophenyl)-N-(3-fluorophenyl)piperidine-1-carboxamide
PubChem CID170456870
Molecular FormulaC18H20FN3O
Molecular Weight313.38 g/mol
Exact Mass313.16
IUPAC Name4-(2-aminophenyl)-N-(3-fluorophenyl)piperidine-1-carboxamide
SMILESNc1ccccc1C1CCN(C(=O)Nc2cccc(F)c2)CC1
InChIInChI=1S/C18H20FN3O/c19-14-4-3-5-15(12-14)21-18(23)22-10-8-13(9-11-22)16-6-1-2-7-17(16)20/h1-7,12-13H,8-11,20H2,(H,21,23)
InChIKeyGHEIXVNWCWIPBQ-UHFFFAOYSA-N
XLogP3.82
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-N-(3-fluorophenyl)piperidine-1,4-dicarboxamide
CID 108893994
N-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 6469622
4-benzyl-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 3570835
(3S)-N-(3-fluorophenyl)-3-(methylamino)pyrrolidine-1-carboxamide
CID 172646365
4-(1H-benzimidazol-2-yl)-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 23605637
N-(3-fluorophenyl)-4-sulfamoylpiperazine-1-carboxamide
CID 61131305
3-amino-N-(3-fluorophenyl)azetidine-1-carboxamide;hydrochloride
CID 139034966
4-[2-[(3-fluorobenzoyl)amino]ethyl]-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 91903544
N-(3-fluorophenyl)-4,4-dimethylpiperazin-4-ium-1-carboxamide
CID 68939615
N-(3-fluorophenyl)-4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide
CID 46366148
4-[2-amino-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-oxoethyl]-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 57344319
N-(3-aminophenyl)-4,4-dimethylpiperidine-1-carboxamide
CID 55156325

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminophenyl)-N-(3-fluorophenyl)piperidine-1-carboxamide?
The IUPAC name of 4-(2-aminophenyl)-N-(3-fluorophenyl)piperidine-1-carboxamide (CID 170456870) is 4-(2-aminophenyl)-N-(3-fluorophenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(2-aminophenyl)-N-(3-fluorophenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(2-aminophenyl)-N-(3-fluorophenyl)piperidine-1-carboxamide is Nc1ccccc1C1CCN(C(=O)Nc2cccc(F)c2)CC1.
What is the InChIKey of 4-(2-aminophenyl)-N-(3-fluorophenyl)piperidine-1-carboxamide?
The InChIKey is GHEIXVNWCWIPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O/c19-14-4-3-5-15(12-14)21-18(23)22-10-8-13(9-11-22)16-6-1-2-7-17(16)20/h1-7,12-13H,8-11,20H2,(H,21,23).
What are the key properties of 4-(2-aminophenyl)-N-(3-fluorophenyl)piperidine-1-carboxamide?
4-(2-aminophenyl)-N-(3-fluorophenyl)piperidine-1-carboxamide has a molecular weight of 313.38 g/mol, XLogP of 3.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminophenyl)-N-(3-fluorophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 170456870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).