N-[2-oxo-2-(2,2,2-trifluoroethoxymethylamino)ethyl]piperidine-4-carboxamide

C11H18F3N3O3 — CID 175976840

IUPACN-[2-oxo-2-(2,2,2-trifluoroethoxymethylamino)ethyl]piperidine-4-carboxamide
SMILESO=C(CNC(=O)C1CCNCC1)NCOCC(F)(F)F
InChIInChI=1S/C11H18F3N3O3/c12-11(13,14)6-20-7-17-9(18)5-16-10(19)8-1-3-15-4-2-8/h8,15H,1-7H2,(H,16,19)(H,17,18)
InChIKeyJIVOPPQLSIPECU-UHFFFAOYSA-N
MW297.28 g/mol
LogP-0.25
Rot. Bonds6

About N-[2-oxo-2-(2,2,2-trifluoroethoxymethylamino)ethyl]piperidine-4-carboxamide

N-[2-oxo-2-(2,2,2-trifluoroethoxymethylamino)ethyl]piperidine-4-carboxamide (PubChem CID 175976840) has the molecular formula C11H18F3N3O3 and a molecular weight of 297.28 g/mol. Its IUPAC name is N-[2-oxo-2-(2,2,2-trifluoroethoxymethylamino)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-(2,2,2-trifluoroethoxymethylamino)ethyl]piperidine-4-carboxamide
PubChem CID175976840
Molecular FormulaC11H18F3N3O3
Molecular Weight297.28 g/mol
Exact Mass297.13
IUPAC NameN-[2-oxo-2-(2,2,2-trifluoroethoxymethylamino)ethyl]piperidine-4-carboxamide
SMILESO=C(CNC(=O)C1CCNCC1)NCOCC(F)(F)F
InChIInChI=1S/C11H18F3N3O3/c12-11(13,14)6-20-7-17-9(18)5-16-10(19)8-1-3-15-4-2-8/h8,15H,1-7H2,(H,16,19)(H,17,18)
InChIKeyJIVOPPQLSIPECU-UHFFFAOYSA-N
XLogP-0.25
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(2,2,2-trifluoroethoxymethylamino)ethyl]piperidine-4-carboxamide?
The IUPAC name of N-[2-oxo-2-(2,2,2-trifluoroethoxymethylamino)ethyl]piperidine-4-carboxamide (CID 175976840) is N-[2-oxo-2-(2,2,2-trifluoroethoxymethylamino)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-oxo-2-(2,2,2-trifluoroethoxymethylamino)ethyl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-oxo-2-(2,2,2-trifluoroethoxymethylamino)ethyl]piperidine-4-carboxamide is O=C(CNC(=O)C1CCNCC1)NCOCC(F)(F)F.
What is the InChIKey of N-[2-oxo-2-(2,2,2-trifluoroethoxymethylamino)ethyl]piperidine-4-carboxamide?
The InChIKey is JIVOPPQLSIPECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O3/c12-11(13,14)6-20-7-17-9(18)5-16-10(19)8-1-3-15-4-2-8/h8,15H,1-7H2,(H,16,19)(H,17,18).
What are the key properties of N-[2-oxo-2-(2,2,2-trifluoroethoxymethylamino)ethyl]piperidine-4-carboxamide?
N-[2-oxo-2-(2,2,2-trifluoroethoxymethylamino)ethyl]piperidine-4-carboxamide has a molecular weight of 297.28 g/mol, XLogP of -0.25, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(2,2,2-trifluoroethoxymethylamino)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 175976840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).