N-methyl-4-(2,3,4,5,6-pentafluorophenoxy)piperidine-1-carboxamide

C13H13F5N2O2 — CID 19762454

IUPACN-methyl-4-(2,3,4,5,6-pentafluorophenoxy)piperidine-1-carboxamide
SMILESCNC(=O)N1CCC(Oc2c(F)c(F)c(F)c(F)c2F)CC1
InChIInChI=1S/C13H13F5N2O2/c1-19-13(21)20-4-2-6(3-5-20)22-12-10(17)8(15)7(14)9(16)11(12)18/h6H,2-5H2,1H3,(H,19,21)
InChIKeyIYSBWROHMMSBQQ-UHFFFAOYSA-N
MW324.25 g/mol
LogP2.56
Rot. Bonds2

About N-methyl-4-(2,3,4,5,6-pentafluorophenoxy)piperidine-1-carboxamide

N-methyl-4-(2,3,4,5,6-pentafluorophenoxy)piperidine-1-carboxamide (PubChem CID 19762454) has the molecular formula C13H13F5N2O2 and a molecular weight of 324.25 g/mol. Its IUPAC name is N-methyl-4-(2,3,4,5,6-pentafluorophenoxy)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-methyl-4-(2,3,4,5,6-pentafluorophenoxy)piperidine-1-carboxamide
PubChem CID19762454
Molecular FormulaC13H13F5N2O2
Molecular Weight324.25 g/mol
Exact Mass324.09
IUPAC NameN-methyl-4-(2,3,4,5,6-pentafluorophenoxy)piperidine-1-carboxamide
SMILESCNC(=O)N1CCC(Oc2c(F)c(F)c(F)c(F)c2F)CC1
InChIInChI=1S/C13H13F5N2O2/c1-19-13(21)20-4-2-6(3-5-20)22-12-10(17)8(15)7(14)9(16)11(12)18/h6H,2-5H2,1H3,(H,19,21)
InChIKeyIYSBWROHMMSBQQ-UHFFFAOYSA-N
XLogP2.56
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.25
LogP ≤ 52.56
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2,3,4,5,6-pentafluorophenoxy)piperidine-1-carboxamide?
The IUPAC name of N-methyl-4-(2,3,4,5,6-pentafluorophenoxy)piperidine-1-carboxamide (CID 19762454) is N-methyl-4-(2,3,4,5,6-pentafluorophenoxy)piperidine-1-carboxamide.
What is the SMILES notation for N-methyl-4-(2,3,4,5,6-pentafluorophenoxy)piperidine-1-carboxamide?
The canonical SMILES for N-methyl-4-(2,3,4,5,6-pentafluorophenoxy)piperidine-1-carboxamide is CNC(=O)N1CCC(Oc2c(F)c(F)c(F)c(F)c2F)CC1.
What is the InChIKey of N-methyl-4-(2,3,4,5,6-pentafluorophenoxy)piperidine-1-carboxamide?
The InChIKey is IYSBWROHMMSBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F5N2O2/c1-19-13(21)20-4-2-6(3-5-20)22-12-10(17)8(15)7(14)9(16)11(12)18/h6H,2-5H2,1H3,(H,19,21).
What are the key properties of N-methyl-4-(2,3,4,5,6-pentafluorophenoxy)piperidine-1-carboxamide?
N-methyl-4-(2,3,4,5,6-pentafluorophenoxy)piperidine-1-carboxamide has a molecular weight of 324.25 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2,3,4,5,6-pentafluorophenoxy)piperidine-1-carboxamide is sourced from PubChem (CID 19762454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).