3-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide

C8H14F3N3O — CID 83992254

IUPAC3-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide
SMILESNC(=O)N1CCCC(NCC(F)(F)F)C1
InChIInChI=1S/C8H14F3N3O/c9-8(10,11)5-13-6-2-1-3-14(4-6)7(12)15/h6,13H,1-5H2,(H2,12,15)
InChIKeyRNUMKSJSUHQJAD-UHFFFAOYSA-N
MW225.21 g/mol
LogP0.68
Rot. Bonds2

About 3-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide

3-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide (PubChem CID 83992254) has the molecular formula C8H14F3N3O and a molecular weight of 225.21 g/mol. Its IUPAC name is 3-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide
PubChem CID83992254
Molecular FormulaC8H14F3N3O
Molecular Weight225.21 g/mol
Exact Mass225.11
IUPAC Name3-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide
SMILESNC(=O)N1CCCC(NCC(F)(F)F)C1
InChIInChI=1S/C8H14F3N3O/c9-8(10,11)5-13-6-2-1-3-14(4-6)7(12)15/h6,13H,1-5H2,(H2,12,15)
InChIKeyRNUMKSJSUHQJAD-UHFFFAOYSA-N
XLogP0.68
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(cyclopentylamino)piperidine-1-carboxamide
CID 83999864
3,3,3-trifluoro-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119490768
ethyl 3-(2,2-dimethylpropylamino)piperidine-1-carboxylate
CID 83995011
3-N-(2,2,2-trifluoroethoxy)piperidine-1,3-dicarboxamide
CID 81340627
1-cyclohexyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83992476
3,3,3-trifluoro-1-[3-(propylamino)piperidin-1-yl]-2-(trifluoromethyl)propan-1-one
CID 103308959
3-(cyclopentylamino)-5-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 83999887
[(3R)-1-(2-hydroxyacetyl)piperidin-3-yl]urea
CID 177272345
3-methylpiperidine-1-carboxamide
CID 16786142
3-(N'-hydroxycarbamimidoyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 113463057
3-N-(2-hydroxyethyl)-3-N-(2,2,2-trifluoroethyl)piperidine-1,3-dicarboxamide
CID 103750590
2-chloro-N-[(3R)-1-(4,4,4-trifluorobutanoyl)piperidin-3-yl]acetamide
CID 154856774

Frequently Asked Questions

What is the IUPAC name of 3-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide?
The IUPAC name of 3-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide (CID 83992254) is 3-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide.
What is the SMILES notation for 3-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide?
The canonical SMILES for 3-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide is NC(=O)N1CCCC(NCC(F)(F)F)C1.
What is the InChIKey of 3-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide?
The InChIKey is RNUMKSJSUHQJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N3O/c9-8(10,11)5-13-6-2-1-3-14(4-6)7(12)15/h6,13H,1-5H2,(H2,12,15).
What are the key properties of 3-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide?
3-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide has a molecular weight of 225.21 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide is sourced from PubChem (CID 83992254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).