N-(2,2,2-trifluoroethoxy)piperidine-1-carboxamide

C8H13F3N2O2 — CID 115712427

IUPACN-(2,2,2-trifluoroethoxy)piperidine-1-carboxamide
SMILESO=C(NOCC(F)(F)F)N1CCCCC1
InChIInChI=1S/C8H13F3N2O2/c9-8(10,11)6-15-12-7(14)13-4-2-1-3-5-13/h1-6H2,(H,12,14)
InChIKeyLRLNBBLGPXLOED-UHFFFAOYSA-N
MW226.20 g/mol
LogP1.68
Rot. Bonds2

About N-(2,2,2-trifluoroethoxy)piperidine-1-carboxamide

N-(2,2,2-trifluoroethoxy)piperidine-1-carboxamide (PubChem CID 115712427) has the molecular formula C8H13F3N2O2 and a molecular weight of 226.20 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethoxy)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethoxy)piperidine-1-carboxamide
PubChem CID115712427
Molecular FormulaC8H13F3N2O2
Molecular Weight226.20 g/mol
Exact Mass226.09
IUPAC NameN-(2,2,2-trifluoroethoxy)piperidine-1-carboxamide
SMILESO=C(NOCC(F)(F)F)N1CCCCC1
InChIInChI=1S/C8H13F3N2O2/c9-8(10,11)6-15-12-7(14)13-4-2-1-3-5-13/h1-6H2,(H,12,14)
InChIKeyLRLNBBLGPXLOED-UHFFFAOYSA-N
XLogP1.68
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,3-Difluoropiperidine-1-carboxamide
CID 89026210
1-Tert-butyl-1-ethyl-3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxyurea
CID 89884447
4,4-Difluoropiperidine-1-carboxamide
CID 116991121
4-(Difluoromethoxy)piperidine-1-carboxamide
CID 130708067
4-(2,2,2-Trifluoroethoxyamino)piperidine-1-carboxamide
CID 82711601
N-(2,2,2-trifluoroethoxy)azepane-1-carboxamide
CID 112700787
4-methyl-N-(2,2,2-trifluoroethoxy)piperidine-1-carboxamide
CID 112700788
3-methyl-N-(2,2,2-trifluoroethoxy)piperidine-1-carboxamide
CID 115731727
N-ethoxypiperidine-1-carboxamide
CID 104466291

Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethoxy)piperidine-1-carboxamide?
The IUPAC name of N-(2,2,2-trifluoroethoxy)piperidine-1-carboxamide (CID 115712427) is N-(2,2,2-trifluoroethoxy)piperidine-1-carboxamide.
What is the SMILES notation for N-(2,2,2-trifluoroethoxy)piperidine-1-carboxamide?
The canonical SMILES for N-(2,2,2-trifluoroethoxy)piperidine-1-carboxamide is O=C(NOCC(F)(F)F)N1CCCCC1.
What is the InChIKey of N-(2,2,2-trifluoroethoxy)piperidine-1-carboxamide?
The InChIKey is LRLNBBLGPXLOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O2/c9-8(10,11)6-15-12-7(14)13-4-2-1-3-5-13/h1-6H2,(H,12,14).
What are the key properties of N-(2,2,2-trifluoroethoxy)piperidine-1-carboxamide?
N-(2,2,2-trifluoroethoxy)piperidine-1-carboxamide has a molecular weight of 226.20 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethoxy)piperidine-1-carboxamide is sourced from PubChem (CID 115712427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).