1-(6-oxo-1,6-dihydropyridine-3-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

C14H16F3N3O3 — CID 49676921

IUPAC1-(6-oxo-1H-pyridine-3-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESC1CN(CCC1C(=O)NCC(F)(F)F)C(=O)C2=CNC(=O)C=C2
InChIInChI=1S/C14H16F3N3O3/c15-14(16,17)8-19-12(22)9-3-5-20(6-4-9)13(23)10-1-2-11(21)18-7-10/h1-2,7,9H,3-6,8H2,(H,18,21)(H,19,22)
InChIKeyYIQBVTXCOYMRNN-UHFFFAOYSA-N
MW331.29 g/mol
LogP0.30
Rot. Bonds3

About 1-(6-oxo-1,6-dihydropyridine-3-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

1-(6-oxo-1,6-dihydropyridine-3-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (PubChem CID 49676921) has the molecular formula C14H16F3N3O3 and a molecular weight of 331.29 g/mol. Its IUPAC name is 1-(6-oxo-1H-pyridine-3-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-oxo-1,6-dihydropyridine-3-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
PubChem CID49676921
Molecular FormulaC14H16F3N3O3
Molecular Weight331.29 g/mol
Exact Mass331.11
IUPAC Name1-(6-oxo-1H-pyridine-3-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESC1CN(CCC1C(=O)NCC(F)(F)F)C(=O)C2=CNC(=O)C=C2
InChIInChI=1S/C14H16F3N3O3/c15-14(16,17)8-19-12(22)9-3-5-20(6-4-9)13(23)10-1-2-11(21)18-7-10/h1-2,7,9H,3-6,8H2,(H,18,21)(H,19,22)
InChIKeyYIQBVTXCOYMRNN-UHFFFAOYSA-N
XLogP0.30
TPSA78.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity561

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.29
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(6-oxo-1,6-dihydropyridine-3-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(6-oxo-1,6-dihydropyridine-3-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (CID 49676921) is 1-(6-oxo-1H-pyridine-3-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(6-oxo-1,6-dihydropyridine-3-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(6-oxo-1,6-dihydropyridine-3-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is C1CN(CCC1C(=O)NCC(F)(F)F)C(=O)C2=CNC(=O)C=C2.
What is the InChIKey of 1-(6-oxo-1,6-dihydropyridine-3-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The InChIKey is YIQBVTXCOYMRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O3/c15-14(16,17)8-19-12(22)9-3-5-20(6-4-9)13(23)10-1-2-11(21)18-7-10/h1-2,7,9H,3-6,8H2,(H,18,21)(H,19,22).
What are the key properties of 1-(6-oxo-1,6-dihydropyridine-3-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
1-(6-oxo-1,6-dihydropyridine-3-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide has a molecular weight of 331.29 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-oxo-1,6-dihydropyridine-3-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is sourced from PubChem (CID 49676921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).