4-(2,2,2-trifluoroethoxyamino)piperidine-1-carboxamide

C8H14F3N3O2 — CID 82711601

IUPAC4-(2,2,2-trifluoroethoxyamino)piperidine-1-carboxamide
SMILESNC(=O)N1CCC(NOCC(F)(F)F)CC1
InChIInChI=1S/C8H14F3N3O2/c9-8(10,11)5-16-13-6-1-3-14(4-2-6)7(12)15/h6,13H,1-5H2,(H2,12,15)
InChIKeyGNTYRPZOZGMFFN-UHFFFAOYSA-N
MW241.21 g/mol
LogP0.61
Rot. Bonds3

About 4-(2,2,2-trifluoroethoxyamino)piperidine-1-carboxamide

4-(2,2,2-trifluoroethoxyamino)piperidine-1-carboxamide (PubChem CID 82711601) has the molecular formula C8H14F3N3O2 and a molecular weight of 241.21 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroethoxyamino)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(2,2,2-trifluoroethoxyamino)piperidine-1-carboxamide
PubChem CID82711601
Molecular FormulaC8H14F3N3O2
Molecular Weight241.21 g/mol
Exact Mass241.10
IUPAC Name4-(2,2,2-trifluoroethoxyamino)piperidine-1-carboxamide
SMILESNC(=O)N1CCC(NOCC(F)(F)F)CC1
InChIInChI=1S/C8H14F3N3O2/c9-8(10,11)5-16-13-6-1-3-14(4-2-6)7(12)15/h6,13H,1-5H2,(H2,12,15)
InChIKeyGNTYRPZOZGMFFN-UHFFFAOYSA-N
XLogP0.61
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2,2-trifluoroethoxyamino)piperidine-1-carboxamide?
The IUPAC name of 4-(2,2,2-trifluoroethoxyamino)piperidine-1-carboxamide (CID 82711601) is 4-(2,2,2-trifluoroethoxyamino)piperidine-1-carboxamide.
What is the SMILES notation for 4-(2,2,2-trifluoroethoxyamino)piperidine-1-carboxamide?
The canonical SMILES for 4-(2,2,2-trifluoroethoxyamino)piperidine-1-carboxamide is NC(=O)N1CCC(NOCC(F)(F)F)CC1.
What is the InChIKey of 4-(2,2,2-trifluoroethoxyamino)piperidine-1-carboxamide?
The InChIKey is GNTYRPZOZGMFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N3O2/c9-8(10,11)5-16-13-6-1-3-14(4-2-6)7(12)15/h6,13H,1-5H2,(H2,12,15).
What are the key properties of 4-(2,2,2-trifluoroethoxyamino)piperidine-1-carboxamide?
4-(2,2,2-trifluoroethoxyamino)piperidine-1-carboxamide has a molecular weight of 241.21 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoroethoxyamino)piperidine-1-carboxamide is sourced from PubChem (CID 82711601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).