3-methoxy-4-methyl-N-(5,5,5-trifluoropentyl)piperidine-1-carboxamide

C13H23F3N2O2 — CID 91661986

IUPAC3-methoxy-4-methyl-N-(5,5,5-trifluoropentyl)piperidine-1-carboxamide
SMILESCOC1CN(C(=O)NCCCCC(F)(F)F)CCC1C
InChIInChI=1S/C13H23F3N2O2/c1-10-5-8-18(9-11(10)20-2)12(19)17-7-4-3-6-13(14,15)16/h10-11H,3-9H2,1-2H3,(H,17,19)
InChIKeyOETANUKWWLWXFQ-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.79
Rot. Bonds5

About 3-methoxy-4-methyl-N-(5,5,5-trifluoropentyl)piperidine-1-carboxamide

3-methoxy-4-methyl-N-(5,5,5-trifluoropentyl)piperidine-1-carboxamide (PubChem CID 91661986) has the molecular formula C13H23F3N2O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 3-methoxy-4-methyl-N-(5,5,5-trifluoropentyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-methoxy-4-methyl-N-(5,5,5-trifluoropentyl)piperidine-1-carboxamide
PubChem CID91661986
Molecular FormulaC13H23F3N2O2
Molecular Weight296.33 g/mol
Exact Mass296.17
IUPAC Name3-methoxy-4-methyl-N-(5,5,5-trifluoropentyl)piperidine-1-carboxamide
SMILESCOC1CN(C(=O)NCCCCC(F)(F)F)CCC1C
InChIInChI=1S/C13H23F3N2O2/c1-10-5-8-18(9-11(10)20-2)12(19)17-7-4-3-6-13(14,15)16/h10-11H,3-9H2,1-2H3,(H,17,19)
InChIKeyOETANUKWWLWXFQ-UHFFFAOYSA-N
XLogP2.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-methyl-N-(5,5,5-trifluoropentyl)piperidine-1-carboxamide?
The IUPAC name of 3-methoxy-4-methyl-N-(5,5,5-trifluoropentyl)piperidine-1-carboxamide (CID 91661986) is 3-methoxy-4-methyl-N-(5,5,5-trifluoropentyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-methoxy-4-methyl-N-(5,5,5-trifluoropentyl)piperidine-1-carboxamide?
The canonical SMILES for 3-methoxy-4-methyl-N-(5,5,5-trifluoropentyl)piperidine-1-carboxamide is COC1CN(C(=O)NCCCCC(F)(F)F)CCC1C.
What is the InChIKey of 3-methoxy-4-methyl-N-(5,5,5-trifluoropentyl)piperidine-1-carboxamide?
The InChIKey is OETANUKWWLWXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O2/c1-10-5-8-18(9-11(10)20-2)12(19)17-7-4-3-6-13(14,15)16/h10-11H,3-9H2,1-2H3,(H,17,19).
What are the key properties of 3-methoxy-4-methyl-N-(5,5,5-trifluoropentyl)piperidine-1-carboxamide?
3-methoxy-4-methyl-N-(5,5,5-trifluoropentyl)piperidine-1-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-methyl-N-(5,5,5-trifluoropentyl)piperidine-1-carboxamide is sourced from PubChem (CID 91661986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).