1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-4-carboxamide

C10H16F3N3O2 — CID 29439803

IUPAC1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CC(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C10H16F3N3O2/c11-10(12,13)6-15-8(17)5-16-3-1-7(2-4-16)9(14)18/h7H,1-6H2,(H2,14,18)(H,15,17)
InChIKeyJZWKYRXKZUDQHB-UHFFFAOYSA-N
MW267.25 g/mol
LogP-0.14
Rot. Bonds4

About 1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-4-carboxamide

1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-4-carboxamide (PubChem CID 29439803) has the molecular formula C10H16F3N3O2 and a molecular weight of 267.25 g/mol. Its IUPAC name is 1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-4-carboxamide
PubChem CID29439803
Molecular FormulaC10H16F3N3O2
Molecular Weight267.25 g/mol
Exact Mass267.12
IUPAC Name1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CC(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C10H16F3N3O2/c11-10(12,13)6-15-8(17)5-16-3-1-7(2-4-16)9(14)18/h7H,1-6H2,(H2,14,18)(H,15,17)
InChIKeyJZWKYRXKZUDQHB-UHFFFAOYSA-N
XLogP-0.14
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-4-carboxamide (CID 29439803) is 1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-4-carboxamide is NC(=O)C1CCN(CC(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-4-carboxamide?
The InChIKey is JZWKYRXKZUDQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O2/c11-10(12,13)6-15-8(17)5-16-3-1-7(2-4-16)9(14)18/h7H,1-6H2,(H2,14,18)(H,15,17).
What are the key properties of 1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-4-carboxamide?
1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-4-carboxamide has a molecular weight of 267.25 g/mol, XLogP of -0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 29439803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).