1-(3,3,3-trifluoropropyl)piperidine-4-carboxamide

C9H15F3N2O — CID 18678470

IUPAC1-(3,3,3-trifluoropropyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CCC(F)(F)F)CC1
InChIInChI=1S/C9H15F3N2O/c10-9(11,12)3-6-14-4-1-7(2-5-14)8(13)15/h7H,1-6H2,(H2,13,15)
InChIKeyOKHBQKQUIRHKDD-UHFFFAOYSA-N
MW224.23 g/mol
LogP1.14
Rot. Bonds3

About 1-(3,3,3-trifluoropropyl)piperidine-4-carboxamide

1-(3,3,3-trifluoropropyl)piperidine-4-carboxamide (PubChem CID 18678470) has the molecular formula C9H15F3N2O and a molecular weight of 224.23 g/mol. Its IUPAC name is 1-(3,3,3-trifluoropropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3,3,3-trifluoropropyl)piperidine-4-carboxamide
PubChem CID18678470
Molecular FormulaC9H15F3N2O
Molecular Weight224.23 g/mol
Exact Mass224.11
IUPAC Name1-(3,3,3-trifluoropropyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CCC(F)(F)F)CC1
InChIInChI=1S/C9H15F3N2O/c10-9(11,12)3-6-14-4-1-7(2-5-14)8(13)15/h7H,1-6H2,(H2,13,15)
InChIKeyOKHBQKQUIRHKDD-UHFFFAOYSA-N
XLogP1.14
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3,3,3-trifluoropropyl)piperidine-4-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-(3,3,3-trifluoropropyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3,3,3-trifluoropropyl)piperidine-4-carboxamide (CID 18678470) is 1-(3,3,3-trifluoropropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3,3,3-trifluoropropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3,3,3-trifluoropropyl)piperidine-4-carboxamide is NC(=O)C1CCN(CCC(F)(F)F)CC1.
What is the InChIKey of 1-(3,3,3-trifluoropropyl)piperidine-4-carboxamide?
The InChIKey is OKHBQKQUIRHKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O/c10-9(11,12)3-6-14-4-1-7(2-5-14)8(13)15/h7H,1-6H2,(H2,13,15).
What are the key properties of 1-(3,3,3-trifluoropropyl)piperidine-4-carboxamide?
1-(3,3,3-trifluoropropyl)piperidine-4-carboxamide has a molecular weight of 224.23 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3,3-trifluoropropyl)piperidine-4-carboxamide is sourced from PubChem (CID 18678470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).