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

C12H13F4N3O — CID 79904277

IUPACN-methyl-1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-4-carboxamide
SMILESCNC(=O)C1CCN(c2c(F)c(F)nc(F)c2F)CC1
InChIInChI=1S/C12H13F4N3O/c1-17-12(20)6-2-4-19(5-3-6)9-7(13)10(15)18-11(16)8(9)14/h6H,2-5H2,1H3,(H,17,20)
InChIKeyLSIHXGOFNAIXBJ-UHFFFAOYSA-N
MW291.25 g/mol
LogP1.60
Rot. Bonds2

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

N-methyl-1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-4-carboxamide (PubChem CID 79904277) has the molecular formula C12H13F4N3O and a molecular weight of 291.25 g/mol. Its IUPAC name is N-methyl-1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-4-carboxamide
PubChem CID79904277
Molecular FormulaC12H13F4N3O
Molecular Weight291.25 g/mol
Exact Mass291.10
IUPAC NameN-methyl-1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-4-carboxamide
SMILESCNC(=O)C1CCN(c2c(F)c(F)nc(F)c2F)CC1
InChIInChI=1S/C12H13F4N3O/c1-17-12(20)6-2-4-19(5-3-6)9-7(13)10(15)18-11(16)8(9)14/h6H,2-5H2,1H3,(H,17,20)
InChIKeyLSIHXGOFNAIXBJ-UHFFFAOYSA-N
XLogP1.60
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.25
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of N-methyl-1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-4-carboxamide (CID 79904277) is N-methyl-1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for N-methyl-1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for N-methyl-1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-4-carboxamide is CNC(=O)C1CCN(c2c(F)c(F)nc(F)c2F)CC1.
What is the InChIKey of N-methyl-1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-4-carboxamide?
The InChIKey is LSIHXGOFNAIXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F4N3O/c1-17-12(20)6-2-4-19(5-3-6)9-7(13)10(15)18-11(16)8(9)14/h6H,2-5H2,1H3,(H,17,20).
What are the key properties of N-methyl-1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-4-carboxamide?
N-methyl-1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-4-carboxamide has a molecular weight of 291.25 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 79904277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).