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

C13H13F5N2O — CID 115564450

IUPAC4-methyl-N-(2,3,4,5,6-pentafluorophenyl)piperidine-4-carboxamide
SMILESCC1(C(=O)Nc2c(F)c(F)c(F)c(F)c2F)CCNCC1
InChIInChI=1S/C13H13F5N2O/c1-13(2-4-19-5-3-13)12(21)20-11-9(17)7(15)6(14)8(16)10(11)18/h19H,2-5H2,1H3,(H,20,21)
InChIKeyINFUCLBBHMROGG-UHFFFAOYSA-N
MW308.25 g/mol
LogP2.71
Rot. Bonds2

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

4-methyl-N-(2,3,4,5,6-pentafluorophenyl)piperidine-4-carboxamide (PubChem CID 115564450) has the molecular formula C13H13F5N2O and a molecular weight of 308.25 g/mol. Its IUPAC name is 4-methyl-N-(2,3,4,5,6-pentafluorophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(2,3,4,5,6-pentafluorophenyl)piperidine-4-carboxamide
PubChem CID115564450
Molecular FormulaC13H13F5N2O
Molecular Weight308.25 g/mol
Exact Mass308.09
IUPAC Name4-methyl-N-(2,3,4,5,6-pentafluorophenyl)piperidine-4-carboxamide
SMILESCC1(C(=O)Nc2c(F)c(F)c(F)c(F)c2F)CCNCC1
InChIInChI=1S/C13H13F5N2O/c1-13(2-4-19-5-3-13)12(21)20-11-9(17)7(15)6(14)8(16)10(11)18/h19H,2-5H2,1H3,(H,20,21)
InChIKeyINFUCLBBHMROGG-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
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-(2,6-difluorophenyl)-4-methylpiperidine-4-carboxamide
CID 55177937
4-methyl-N-(3,4,5-trifluorophenyl)piperidine-4-carboxamide
CID 55177366
N-(3,4-dichloro-2-fluorophenyl)-4-methylpiperidine-4-carboxamide
CID 170264995
N-(2,6-difluoro-3-methylphenyl)-3-methylpyrrolidine-3-carboxamide
CID 82818995
N-(4-chloro-2-fluorophenyl)-4-methylpiperidine-4-carboxamide
CID 63121680
N-(4-fluoro-2-methylphenyl)-4-methylpiperidine-4-carboxamide
CID 63121495
N-(4-bromo-2-fluorophenyl)-4-methylpiperidine-4-carboxamide
CID 63121522
2-methyl-N-(2,3,4,5,6-pentafluorophenyl)piperidine-2-carboxamide
CID 104597136
4-methyl-N-(4-methylphenyl)piperidine-4-carboxamide
CID 63121506
N-(2,4-dimethylphenyl)-4-methylpiperidine-4-carboxamide
CID 63121544
N-(4-fluoro-2-nitrophenyl)-4-methylpiperidine-4-carboxamide
CID 63121900
4-methyl-N-thiophen-3-ylpiperidine-4-carboxamide
CID 66352171

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2,3,4,5,6-pentafluorophenyl)piperidine-4-carboxamide?
The IUPAC name of 4-methyl-N-(2,3,4,5,6-pentafluorophenyl)piperidine-4-carboxamide (CID 115564450) is 4-methyl-N-(2,3,4,5,6-pentafluorophenyl)piperidine-4-carboxamide.
What is the SMILES notation for 4-methyl-N-(2,3,4,5,6-pentafluorophenyl)piperidine-4-carboxamide?
The canonical SMILES for 4-methyl-N-(2,3,4,5,6-pentafluorophenyl)piperidine-4-carboxamide is CC1(C(=O)Nc2c(F)c(F)c(F)c(F)c2F)CCNCC1.
What is the InChIKey of 4-methyl-N-(2,3,4,5,6-pentafluorophenyl)piperidine-4-carboxamide?
The InChIKey is INFUCLBBHMROGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F5N2O/c1-13(2-4-19-5-3-13)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 4-methyl-N-(2,3,4,5,6-pentafluorophenyl)piperidine-4-carboxamide?
4-methyl-N-(2,3,4,5,6-pentafluorophenyl)piperidine-4-carboxamide has a molecular weight of 308.25 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2,3,4,5,6-pentafluorophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 115564450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).