3-thiophen-2-yl-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide

C12H16F3N3OS — CID 83992262

IUPAC3-thiophen-2-yl-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide
SMILESNC(=O)N1CC(NCC(F)(F)F)CC(c2cccs2)C1
InChIInChI=1S/C12H16F3N3OS/c13-12(14,15)7-17-9-4-8(10-2-1-3-20-10)5-18(6-9)11(16)19/h1-3,8-9,17H,4-7H2,(H2,16,19)
InChIKeyYJHLHWZBJULHFQ-UHFFFAOYSA-N
MW307.34 g/mol
LogP2.14
Rot. Bonds3

About 3-thiophen-2-yl-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide

3-thiophen-2-yl-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide (PubChem CID 83992262) has the molecular formula C12H16F3N3OS and a molecular weight of 307.34 g/mol. Its IUPAC name is 3-thiophen-2-yl-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-thiophen-2-yl-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide
PubChem CID83992262
Molecular FormulaC12H16F3N3OS
Molecular Weight307.34 g/mol
Exact Mass307.10
IUPAC Name3-thiophen-2-yl-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide
SMILESNC(=O)N1CC(NCC(F)(F)F)CC(c2cccs2)C1
InChIInChI=1S/C12H16F3N3OS/c13-12(14,15)7-17-9-4-8(10-2-1-3-20-10)5-18(6-9)11(16)19/h1-3,8-9,17H,4-7H2,(H2,16,19)
InChIKeyYJHLHWZBJULHFQ-UHFFFAOYSA-N
XLogP2.14
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.34
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-thiophen-2-yl-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide?
The IUPAC name of 3-thiophen-2-yl-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide (CID 83992262) is 3-thiophen-2-yl-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide.
What is the SMILES notation for 3-thiophen-2-yl-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide?
The canonical SMILES for 3-thiophen-2-yl-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide is NC(=O)N1CC(NCC(F)(F)F)CC(c2cccs2)C1.
What is the InChIKey of 3-thiophen-2-yl-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide?
The InChIKey is YJHLHWZBJULHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3OS/c13-12(14,15)7-17-9-4-8(10-2-1-3-20-10)5-18(6-9)11(16)19/h1-3,8-9,17H,4-7H2,(H2,16,19).
What are the key properties of 3-thiophen-2-yl-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide?
3-thiophen-2-yl-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide has a molecular weight of 307.34 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-2-yl-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide is sourced from PubChem (CID 83992262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).