2-methyl-N-(2,3,4,5,6-pentafluorophenyl)piperidine-2-carboxamide

C13H13F5N2O — CID 104597136

IUPAC2-methyl-N-(2,3,4,5,6-pentafluorophenyl)piperidine-2-carboxamide
SMILESCC1(C(=O)Nc2c(F)c(F)c(F)c(F)c2F)CCCCN1
InChIInChI=1S/C13H13F5N2O/c1-13(4-2-3-5-19-13)12(21)20-11-9(17)7(15)6(14)8(16)10(11)18/h19H,2-5H2,1H3,(H,20,21)
InChIKeyYQVHJZGNWBOMNY-UHFFFAOYSA-N
MW308.25 g/mol
LogP2.85
Rot. Bonds2

About 2-methyl-N-(2,3,4,5,6-pentafluorophenyl)piperidine-2-carboxamide

2-methyl-N-(2,3,4,5,6-pentafluorophenyl)piperidine-2-carboxamide (PubChem CID 104597136) has the molecular formula C13H13F5N2O and a molecular weight of 308.25 g/mol. Its IUPAC name is 2-methyl-N-(2,3,4,5,6-pentafluorophenyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2,3,4,5,6-pentafluorophenyl)piperidine-2-carboxamide
PubChem CID104597136
Molecular FormulaC13H13F5N2O
Molecular Weight308.25 g/mol
Exact Mass308.09
IUPAC Name2-methyl-N-(2,3,4,5,6-pentafluorophenyl)piperidine-2-carboxamide
SMILESCC1(C(=O)Nc2c(F)c(F)c(F)c(F)c2F)CCCCN1
InChIInChI=1S/C13H13F5N2O/c1-13(4-2-3-5-19-13)12(21)20-11-9(17)7(15)6(14)8(16)10(11)18/h19H,2-5H2,1H3,(H,20,21)
InChIKeyYQVHJZGNWBOMNY-UHFFFAOYSA-N
XLogP2.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.25
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-4,6-difluorophenyl)-2-methylpiperidine-2-carboxamide
CID 104597189
N-(4-fluoro-2-methoxyphenyl)-2-methylpiperidine-2-carboxamide
CID 104596685
N-(2-bromo-4,6-dimethylphenyl)-2-methylpiperidine-2-carboxamide
CID 104597094
N-(2-chloro-5-fluorophenyl)-2-methylpiperidine-2-carboxamide
CID 107528549
4-methyl-N-(2,3,4,5,6-pentafluorophenyl)piperidine-4-carboxamide
CID 115564450
N-(2-cyano-4-fluorophenyl)-2-methylpiperidine-2-carboxamide
CID 104597157
N',N',2-trimethylpiperidine-2-carbohydrazide
CID 104597181
N-(4-fluoro-3-methoxyphenyl)-2-methylpiperidine-2-carboxamide
CID 114839641
N-(3-cyano-4-fluorophenyl)-2-methylpiperidine-2-carboxamide
CID 104596735
N-(2-bromo-4-chlorophenyl)-2-methylpiperidine-2-carboxamide
CID 113430886
N-(2,3-dimethylphenyl)-2-methylpiperidine-2-carboxamide
CID 113368535
2-methyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-2-carboxamide
CID 116786879

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2,3,4,5,6-pentafluorophenyl)piperidine-2-carboxamide?
The IUPAC name of 2-methyl-N-(2,3,4,5,6-pentafluorophenyl)piperidine-2-carboxamide (CID 104597136) is 2-methyl-N-(2,3,4,5,6-pentafluorophenyl)piperidine-2-carboxamide.
What is the SMILES notation for 2-methyl-N-(2,3,4,5,6-pentafluorophenyl)piperidine-2-carboxamide?
The canonical SMILES for 2-methyl-N-(2,3,4,5,6-pentafluorophenyl)piperidine-2-carboxamide is CC1(C(=O)Nc2c(F)c(F)c(F)c(F)c2F)CCCCN1.
What is the InChIKey of 2-methyl-N-(2,3,4,5,6-pentafluorophenyl)piperidine-2-carboxamide?
The InChIKey is YQVHJZGNWBOMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F5N2O/c1-13(4-2-3-5-19-13)12(21)20-11-9(17)7(15)6(14)8(16)10(11)18/h19H,2-5H2,1H3,(H,20,21).
What are the key properties of 2-methyl-N-(2,3,4,5,6-pentafluorophenyl)piperidine-2-carboxamide?
2-methyl-N-(2,3,4,5,6-pentafluorophenyl)piperidine-2-carboxamide has a molecular weight of 308.25 g/mol, XLogP of 2.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2,3,4,5,6-pentafluorophenyl)piperidine-2-carboxamide is sourced from PubChem (CID 104597136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).