3-(2,2-difluoroethylamino)-5-thiophen-2-ylpiperidine-1-carboxamide

C12H17F2N3OS — CID 83992956

IUPAC3-(2,2-difluoroethylamino)-5-thiophen-2-ylpiperidine-1-carboxamide
SMILESNC(=O)N1CC(NCC(F)F)CC(c2cccs2)C1
InChIInChI=1S/C12H17F2N3OS/c13-11(14)5-16-9-4-8(10-2-1-3-19-10)6-17(7-9)12(15)18/h1-3,8-9,11,16H,4-7H2,(H2,15,18)
InChIKeyXGEVOGYCSHYQAS-UHFFFAOYSA-N
MW289.35 g/mol
LogP1.84
Rot. Bonds4

About 3-(2,2-difluoroethylamino)-5-thiophen-2-ylpiperidine-1-carboxamide

3-(2,2-difluoroethylamino)-5-thiophen-2-ylpiperidine-1-carboxamide (PubChem CID 83992956) has the molecular formula C12H17F2N3OS and a molecular weight of 289.35 g/mol. Its IUPAC name is 3-(2,2-difluoroethylamino)-5-thiophen-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name3-(2,2-difluoroethylamino)-5-thiophen-2-ylpiperidine-1-carboxamide
PubChem CID83992956
Molecular FormulaC12H17F2N3OS
Molecular Weight289.35 g/mol
Exact Mass289.11
IUPAC Name3-(2,2-difluoroethylamino)-5-thiophen-2-ylpiperidine-1-carboxamide
SMILESNC(=O)N1CC(NCC(F)F)CC(c2cccs2)C1
InChIInChI=1S/C12H17F2N3OS/c13-11(14)5-16-9-4-8(10-2-1-3-19-10)6-17(7-9)12(15)18/h1-3,8-9,11,16H,4-7H2,(H2,15,18)
InChIKeyXGEVOGYCSHYQAS-UHFFFAOYSA-N
XLogP1.84
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(2,2-difluoroethylamino)-5-thiophen-2-ylpiperidine-1-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 3-(2,2-difluoroethylamino)-5-thiophen-2-ylpiperidine-1-carboxamide?
The IUPAC name of 3-(2,2-difluoroethylamino)-5-thiophen-2-ylpiperidine-1-carboxamide (CID 83992956) is 3-(2,2-difluoroethylamino)-5-thiophen-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for 3-(2,2-difluoroethylamino)-5-thiophen-2-ylpiperidine-1-carboxamide?
The canonical SMILES for 3-(2,2-difluoroethylamino)-5-thiophen-2-ylpiperidine-1-carboxamide is NC(=O)N1CC(NCC(F)F)CC(c2cccs2)C1.
What is the InChIKey of 3-(2,2-difluoroethylamino)-5-thiophen-2-ylpiperidine-1-carboxamide?
The InChIKey is XGEVOGYCSHYQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N3OS/c13-11(14)5-16-9-4-8(10-2-1-3-19-10)6-17(7-9)12(15)18/h1-3,8-9,11,16H,4-7H2,(H2,15,18).
What are the key properties of 3-(2,2-difluoroethylamino)-5-thiophen-2-ylpiperidine-1-carboxamide?
3-(2,2-difluoroethylamino)-5-thiophen-2-ylpiperidine-1-carboxamide has a molecular weight of 289.35 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethylamino)-5-thiophen-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 83992956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).