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

C11H19F3N2O — CID 138603770

IUPAC1-ethyl-N-(3,3,3-trifluoropropyl)piperidine-4-carboxamide
SMILESCCN1CCC(C(=O)NCCC(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2O/c1-2-16-7-3-9(4-8-16)10(17)15-6-5-11(12,13)14/h9H,2-8H2,1H3,(H,15,17)
InChIKeyQGIUAATWSCCGET-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.79
Rot. Bonds4

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

1-ethyl-N-(3,3,3-trifluoropropyl)piperidine-4-carboxamide (PubChem CID 138603770) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is 1-ethyl-N-(3,3,3-trifluoropropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(3,3,3-trifluoropropyl)piperidine-4-carboxamide
PubChem CID138603770
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC Name1-ethyl-N-(3,3,3-trifluoropropyl)piperidine-4-carboxamide
SMILESCCN1CCC(C(=O)NCCC(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2O/c1-2-16-7-3-9(4-8-16)10(17)15-6-5-11(12,13)14/h9H,2-8H2,1H3,(H,15,17)
InChIKeyQGIUAATWSCCGET-UHFFFAOYSA-N
XLogP1.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-ethyl-N-(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-ethyl-N-(3,3,3-trifluoropropyl)piperidine-4-carboxamide?
The IUPAC name of 1-ethyl-N-(3,3,3-trifluoropropyl)piperidine-4-carboxamide (CID 138603770) is 1-ethyl-N-(3,3,3-trifluoropropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-(3,3,3-trifluoropropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-ethyl-N-(3,3,3-trifluoropropyl)piperidine-4-carboxamide is CCN1CCC(C(=O)NCCC(F)(F)F)CC1.
What is the InChIKey of 1-ethyl-N-(3,3,3-trifluoropropyl)piperidine-4-carboxamide?
The InChIKey is QGIUAATWSCCGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c1-2-16-7-3-9(4-8-16)10(17)15-6-5-11(12,13)14/h9H,2-8H2,1H3,(H,15,17).
What are the key properties of 1-ethyl-N-(3,3,3-trifluoropropyl)piperidine-4-carboxamide?
1-ethyl-N-(3,3,3-trifluoropropyl)piperidine-4-carboxamide has a molecular weight of 252.28 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(3,3,3-trifluoropropyl)piperidine-4-carboxamide is sourced from PubChem (CID 138603770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).