1-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-4-carboxamide

C14H16F3N3O3 — CID 31937890

IUPAC1-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)Cn2cccc(C(F)(F)F)c2=O)CC1
InChIInChI=1S/C14H16F3N3O3/c15-14(16,17)10-2-1-5-20(13(10)23)8-11(21)19-6-3-9(4-7-19)12(18)22/h1-2,5,9H,3-4,6-8H2,(H2,18,22)
InChIKeyPXRJBTFYKMYTJS-UHFFFAOYSA-N
MW331.29 g/mol
LogP0.59
Rot. Bonds3

About 1-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-4-carboxamide

1-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-4-carboxamide (PubChem CID 31937890) has the molecular formula C14H16F3N3O3 and a molecular weight of 331.29 g/mol. Its IUPAC name is 1-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-4-carboxamide
PubChem CID31937890
Molecular FormulaC14H16F3N3O3
Molecular Weight331.29 g/mol
Exact Mass331.11
IUPAC Name1-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)Cn2cccc(C(F)(F)F)c2=O)CC1
InChIInChI=1S/C14H16F3N3O3/c15-14(16,17)10-2-1-5-20(13(10)23)8-11(21)19-6-3-9(4-7-19)12(18)22/h1-2,5,9H,3-4,6-8H2,(H2,18,22)
InChIKeyPXRJBTFYKMYTJS-UHFFFAOYSA-N
XLogP0.59
TPSA85.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.29
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-oxo-1,6-dihydropyridine-3-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 49676921
1-(2-methylpropyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-4-carboxamide
CID 53506463
N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-4-carboxamide
CID 72046372
N-(1-acetylpiperidin-4-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 45807140
1-acetyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-4-carboxamide
CID 72050206
N-(1-ethyl-6-oxo-3-pyridinyl)-4-(trifluoromethyl)piperidine-2-carboxamide
CID 146323243
1-[2-[3-Chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-4-carboxamide
CID 8410152
(3R)-1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-3-carboxamide
CID 38846445
(3S)-1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-3-carboxamide
CID 38846446
N-(1-ethylpiperidin-4-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 43052844
1-[2-Oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]pyridin-2-one
CID 45805052
N-[2-(4-methylpiperidin-1-yl)propyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 47082080

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-4-carboxamide (CID 31937890) is 1-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)Cn2cccc(C(F)(F)F)c2=O)CC1.
What is the InChIKey of 1-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-4-carboxamide?
The InChIKey is PXRJBTFYKMYTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O3/c15-14(16,17)10-2-1-5-20(13(10)23)8-11(21)19-6-3-9(4-7-19)12(18)22/h1-2,5,9H,3-4,6-8H2,(H2,18,22).
What are the key properties of 1-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-4-carboxamide?
1-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-4-carboxamide has a molecular weight of 331.29 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 31937890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).