1-(2-amino-3-fluorophenyl)-N-methylpiperidine-4-carboxamide

C13H18FN3O — CID 60789324

IUPAC1-(2-amino-3-fluorophenyl)-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(c2cccc(F)c2N)CC1
InChIInChI=1S/C13H18FN3O/c1-16-13(18)9-5-7-17(8-6-9)11-4-2-3-10(14)12(11)15/h2-4,9H,5-8,15H2,1H3,(H,16,18)
InChIKeyARFNXUFWZZWZLH-UHFFFAOYSA-N
MW251.30 g/mol
LogP1.37
Rot. Bonds2

About 1-(2-amino-3-fluorophenyl)-N-methylpiperidine-4-carboxamide

1-(2-amino-3-fluorophenyl)-N-methylpiperidine-4-carboxamide (PubChem CID 60789324) has the molecular formula C13H18FN3O and a molecular weight of 251.30 g/mol. Its IUPAC name is 1-(2-amino-3-fluorophenyl)-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-amino-3-fluorophenyl)-N-methylpiperidine-4-carboxamide
PubChem CID60789324
Molecular FormulaC13H18FN3O
Molecular Weight251.30 g/mol
Exact Mass251.14
IUPAC Name1-(2-amino-3-fluorophenyl)-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(c2cccc(F)c2N)CC1
InChIInChI=1S/C13H18FN3O/c1-16-13(18)9-5-7-17(8-6-9)11-4-2-3-10(14)12(11)15/h2-4,9H,5-8,15H2,1H3,(H,16,18)
InChIKeyARFNXUFWZZWZLH-UHFFFAOYSA-N
XLogP1.37
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-(2-amino-3-fluorophenyl)piperidin-4-yl]methanol
CID 60790060
1-(2,6-difluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 33039644
2-[1-(2-amino-3-fluorophenyl)piperidin-4-yl]oxyethanol
CID 82695538
1-[2-(aminomethyl)-3-fluorophenyl]-N-methylpiperidine-3-carboxamide
CID 103194586
N,1-bis(2-fluorophenyl)piperidine-4-carboxamide
CID 17152573
1-[3-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]piperidine-4-carboxamide
CID 78939276
methyl 1-(2-fluorophenyl)piperidine-4-carboxylate
CID 117028042
1-(2-fluorophenyl)-N-pentan-3-ylpiperidine-4-carboxamide
CID 17152735
1-(2-amino-5-sulfamoylphenyl)-N-methylpiperidine-4-carboxamide
CID 82900064
1-(4-amino-2-cyanophenyl)-N-methylpiperidine-4-carboxamide
CID 61296551
1-(2-fluorophenyl)-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 17152616
N-butyl-1-(2-fluorophenyl)piperidine-4-carboxamide
CID 17152559

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-fluorophenyl)-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-(2-amino-3-fluorophenyl)-N-methylpiperidine-4-carboxamide (CID 60789324) is 1-(2-amino-3-fluorophenyl)-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2-amino-3-fluorophenyl)-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2-amino-3-fluorophenyl)-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(c2cccc(F)c2N)CC1.
What is the InChIKey of 1-(2-amino-3-fluorophenyl)-N-methylpiperidine-4-carboxamide?
The InChIKey is ARFNXUFWZZWZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O/c1-16-13(18)9-5-7-17(8-6-9)11-4-2-3-10(14)12(11)15/h2-4,9H,5-8,15H2,1H3,(H,16,18).
What are the key properties of 1-(2-amino-3-fluorophenyl)-N-methylpiperidine-4-carboxamide?
1-(2-amino-3-fluorophenyl)-N-methylpiperidine-4-carboxamide has a molecular weight of 251.30 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-fluorophenyl)-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 60789324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).