1-(2-bromo-3,3,3-trifluoropropyl)-6-methylpiperidine-3-carboxamide

C10H16BrF3N2O — CID 64758750

IUPAC1-(2-bromo-3,3,3-trifluoropropyl)-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1CC(Br)C(F)(F)F
InChIInChI=1S/C10H16BrF3N2O/c1-6-2-3-7(9(15)17)4-16(6)5-8(11)10(12,13)14/h6-8H,2-5H2,1H3,(H2,15,17)
InChIKeyGPJPSVCGUNZFQC-UHFFFAOYSA-N
MW317.15 g/mol
LogP1.90
Rot. Bonds3

About 1-(2-bromo-3,3,3-trifluoropropyl)-6-methylpiperidine-3-carboxamide

1-(2-bromo-3,3,3-trifluoropropyl)-6-methylpiperidine-3-carboxamide (PubChem CID 64758750) has the molecular formula C10H16BrF3N2O and a molecular weight of 317.15 g/mol. Its IUPAC name is 1-(2-bromo-3,3,3-trifluoropropyl)-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-bromo-3,3,3-trifluoropropyl)-6-methylpiperidine-3-carboxamide
PubChem CID64758750
Molecular FormulaC10H16BrF3N2O
Molecular Weight317.15 g/mol
Exact Mass316.04
IUPAC Name1-(2-bromo-3,3,3-trifluoropropyl)-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1CC(Br)C(F)(F)F
InChIInChI=1S/C10H16BrF3N2O/c1-6-2-3-7(9(15)17)4-16(6)5-8(11)10(12,13)14/h6-8H,2-5H2,1H3,(H2,15,17)
InChIKeyGPJPSVCGUNZFQC-UHFFFAOYSA-N
XLogP1.90
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.15
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2-bromo-3,3,3-trifluoropropyl)-6-methylpiperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3,3,3-trifluoropropyl)-6-methylpiperidine-3-carboxamide?
The IUPAC name of 1-(2-bromo-3,3,3-trifluoropropyl)-6-methylpiperidine-3-carboxamide (CID 64758750) is 1-(2-bromo-3,3,3-trifluoropropyl)-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(2-bromo-3,3,3-trifluoropropyl)-6-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-(2-bromo-3,3,3-trifluoropropyl)-6-methylpiperidine-3-carboxamide is CC1CCC(C(N)=O)CN1CC(Br)C(F)(F)F.
What is the InChIKey of 1-(2-bromo-3,3,3-trifluoropropyl)-6-methylpiperidine-3-carboxamide?
The InChIKey is GPJPSVCGUNZFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrF3N2O/c1-6-2-3-7(9(15)17)4-16(6)5-8(11)10(12,13)14/h6-8H,2-5H2,1H3,(H2,15,17).
What are the key properties of 1-(2-bromo-3,3,3-trifluoropropyl)-6-methylpiperidine-3-carboxamide?
1-(2-bromo-3,3,3-trifluoropropyl)-6-methylpiperidine-3-carboxamide has a molecular weight of 317.15 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3,3,3-trifluoropropyl)-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 64758750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).