1-(6-amino-2,3-difluorophenyl)-N-methylpiperidine-3-carboxamide

C13H17F2N3O — CID 103194423

IUPAC1-(6-amino-2,3-difluorophenyl)-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(c2c(N)ccc(F)c2F)C1
InChIInChI=1S/C13H17F2N3O/c1-17-13(19)8-3-2-6-18(7-8)12-10(16)5-4-9(14)11(12)15/h4-5,8H,2-3,6-7,16H2,1H3,(H,17,19)
InChIKeyHPMZNVKQBQIEGO-UHFFFAOYSA-N
MW269.29 g/mol
LogP1.51
Rot. Bonds2

About 1-(6-amino-2,3-difluorophenyl)-N-methylpiperidine-3-carboxamide

1-(6-amino-2,3-difluorophenyl)-N-methylpiperidine-3-carboxamide (PubChem CID 103194423) has the molecular formula C13H17F2N3O and a molecular weight of 269.29 g/mol. Its IUPAC name is 1-(6-amino-2,3-difluorophenyl)-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(6-amino-2,3-difluorophenyl)-N-methylpiperidine-3-carboxamide
PubChem CID103194423
Molecular FormulaC13H17F2N3O
Molecular Weight269.29 g/mol
Exact Mass269.13
IUPAC Name1-(6-amino-2,3-difluorophenyl)-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(c2c(N)ccc(F)c2F)C1
InChIInChI=1S/C13H17F2N3O/c1-17-13(19)8-3-2-6-18(7-8)12-10(16)5-4-9(14)11(12)15/h4-5,8H,2-3,6-7,16H2,1H3,(H,17,19)
InChIKeyHPMZNVKQBQIEGO-UHFFFAOYSA-N
XLogP1.51
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 51.51
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

3,5-difluoro-4-[3-(methylcarbamoyl)piperidin-1-yl]benzoic acid
CID 103196242
1-(2-amino-5-fluoro-4-iodophenyl)-N-methylpiperidine-3-carboxamide
CID 103194407
1-(2-aminophenyl)-N-methylpiperidine-3-carboxamide
CID 103194310
1-[2,6-difluoro-4-(hydroxymethyl)phenyl]-N-methylpiperidine-3-carboxamide
CID 103196736
2-(azepan-1-yl)-3,4-difluoroaniline
CID 62533316
1-(2-amino-4-iodophenyl)-N-methylpiperidine-3-carboxamide
CID 103194316
1-[2-(aminomethyl)-3-fluorophenyl]-N-methylpiperidine-3-carboxamide
CID 103194586
1-(3-aminophenyl)-N-methylpiperidine-3-carboxamide
CID 103194412
1-(4-carbamothioyl-3-fluorophenyl)-N-methylpiperidine-3-carboxamide
CID 103195931
1-[2-(aminomethyl)-6-methylphenyl]-N-methylpiperidine-3-carboxamide
CID 107105854
1-(3-bromo-4-carbamothioyl-2-fluorophenyl)-N-methylpiperidine-3-carboxamide
CID 107535479
3,4-difluoro-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline
CID 63168405

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-2,3-difluorophenyl)-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-(6-amino-2,3-difluorophenyl)-N-methylpiperidine-3-carboxamide (CID 103194423) is 1-(6-amino-2,3-difluorophenyl)-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(6-amino-2,3-difluorophenyl)-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-(6-amino-2,3-difluorophenyl)-N-methylpiperidine-3-carboxamide is CNC(=O)C1CCCN(c2c(N)ccc(F)c2F)C1.
What is the InChIKey of 1-(6-amino-2,3-difluorophenyl)-N-methylpiperidine-3-carboxamide?
The InChIKey is HPMZNVKQBQIEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N3O/c1-17-13(19)8-3-2-6-18(7-8)12-10(16)5-4-9(14)11(12)15/h4-5,8H,2-3,6-7,16H2,1H3,(H,17,19).
What are the key properties of 1-(6-amino-2,3-difluorophenyl)-N-methylpiperidine-3-carboxamide?
1-(6-amino-2,3-difluorophenyl)-N-methylpiperidine-3-carboxamide has a molecular weight of 269.29 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-2,3-difluorophenyl)-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 103194423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).