1-fluoro-N-(3-methyl-1-azabicyclo[2.2.2]octan-3-yl)piperidine-4-carboxamide

C14H24FN3O — CID 118254851

IUPAC1-fluoro-N-(3-methyl-1-azabicyclo[2.2.2]octan-3-yl)piperidine-4-carboxamide
SMILESCC1(NC(=O)C2CCN(F)CC2)CN2CCC1CC2
InChIInChI=1S/C14H24FN3O/c1-14(10-17-6-4-12(14)5-7-17)16-13(19)11-2-8-18(15)9-3-11/h11-12H,2-10H2,1H3,(H,16,19)
InChIKeyUCUHVPTVISOPQZ-UHFFFAOYSA-N
MW269.36 g/mol
LogP1.18
Rot. Bonds2

About 1-fluoro-N-(3-methyl-1-azabicyclo[2.2.2]octan-3-yl)piperidine-4-carboxamide

1-fluoro-N-(3-methyl-1-azabicyclo[2.2.2]octan-3-yl)piperidine-4-carboxamide (PubChem CID 118254851) has the molecular formula C14H24FN3O and a molecular weight of 269.36 g/mol. Its IUPAC name is 1-fluoro-N-(3-methyl-1-azabicyclo[2.2.2]octan-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-fluoro-N-(3-methyl-1-azabicyclo[2.2.2]octan-3-yl)piperidine-4-carboxamide
PubChem CID118254851
Molecular FormulaC14H24FN3O
Molecular Weight269.36 g/mol
Exact Mass269.19
IUPAC Name1-fluoro-N-(3-methyl-1-azabicyclo[2.2.2]octan-3-yl)piperidine-4-carboxamide
SMILESCC1(NC(=O)C2CCN(F)CC2)CN2CCC1CC2
InChIInChI=1S/C14H24FN3O/c1-14(10-17-6-4-12(14)5-7-17)16-13(19)11-2-8-18(15)9-3-11/h11-12H,2-10H2,1H3,(H,16,19)
InChIKeyUCUHVPTVISOPQZ-UHFFFAOYSA-N
XLogP1.18
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-N-(3-methyl-1-azabicyclo[2.2.2]octan-3-yl)piperidine-4-carboxamide?
The IUPAC name of 1-fluoro-N-(3-methyl-1-azabicyclo[2.2.2]octan-3-yl)piperidine-4-carboxamide (CID 118254851) is 1-fluoro-N-(3-methyl-1-azabicyclo[2.2.2]octan-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-fluoro-N-(3-methyl-1-azabicyclo[2.2.2]octan-3-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-fluoro-N-(3-methyl-1-azabicyclo[2.2.2]octan-3-yl)piperidine-4-carboxamide is CC1(NC(=O)C2CCN(F)CC2)CN2CCC1CC2.
What is the InChIKey of 1-fluoro-N-(3-methyl-1-azabicyclo[2.2.2]octan-3-yl)piperidine-4-carboxamide?
The InChIKey is UCUHVPTVISOPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24FN3O/c1-14(10-17-6-4-12(14)5-7-17)16-13(19)11-2-8-18(15)9-3-11/h11-12H,2-10H2,1H3,(H,16,19).
What are the key properties of 1-fluoro-N-(3-methyl-1-azabicyclo[2.2.2]octan-3-yl)piperidine-4-carboxamide?
1-fluoro-N-(3-methyl-1-azabicyclo[2.2.2]octan-3-yl)piperidine-4-carboxamide has a molecular weight of 269.36 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-N-(3-methyl-1-azabicyclo[2.2.2]octan-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 118254851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).