2-oxo-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]piperidine-3-carboxamide

C10H14F3N3O3 — CID 2911644

IUPAC2-oxo-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]piperidine-3-carboxamide
SMILESO=C1NCCCC1C(=O)NCCNC(=O)C(F)(F)F
InChIInChI=1S/C10H14F3N3O3/c11-10(12,13)9(19)16-5-4-15-8(18)6-2-1-3-14-7(6)17/h6H,1-5H2,(H,14,17)(H,15,18)(H,16,19)
InChIKeyCURPPONJLUUDJK-UHFFFAOYSA-N
MW281.23 g/mol
LogP-0.69
Rot. Bonds4

About 2-oxo-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]piperidine-3-carboxamide

2-oxo-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]piperidine-3-carboxamide (PubChem CID 2911644) has the molecular formula C10H14F3N3O3 and a molecular weight of 281.23 g/mol. Its IUPAC name is 2-oxo-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]piperidine-3-carboxamide
PubChem CID2911644
Molecular FormulaC10H14F3N3O3
Molecular Weight281.23 g/mol
Exact Mass281.10
IUPAC Name2-oxo-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]piperidine-3-carboxamide
SMILESO=C1NCCCC1C(=O)NCCNC(=O)C(F)(F)F
InChIInChI=1S/C10H14F3N3O3/c11-10(12,13)9(19)16-5-4-15-8(18)6-2-1-3-14-7(6)17/h6H,1-5H2,(H,14,17)(H,15,18)(H,16,19)
InChIKeyCURPPONJLUUDJK-UHFFFAOYSA-N
XLogP-0.69
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.23
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]piperidine-3-carboxamide?
The IUPAC name of 2-oxo-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]piperidine-3-carboxamide (CID 2911644) is 2-oxo-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 2-oxo-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]piperidine-3-carboxamide?
The canonical SMILES for 2-oxo-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]piperidine-3-carboxamide is O=C1NCCCC1C(=O)NCCNC(=O)C(F)(F)F.
What is the InChIKey of 2-oxo-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]piperidine-3-carboxamide?
The InChIKey is CURPPONJLUUDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O3/c11-10(12,13)9(19)16-5-4-15-8(18)6-2-1-3-14-7(6)17/h6H,1-5H2,(H,14,17)(H,15,18)(H,16,19).
What are the key properties of 2-oxo-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]piperidine-3-carboxamide?
2-oxo-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]piperidine-3-carboxamide has a molecular weight of 281.23 g/mol, XLogP of -0.69, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 2911644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).