N-(2-oxo-1H-pyridin-3-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide

C13H14F3N3O3 — CID 110727141

IUPACN-(2-oxo-1H-pyridin-3-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc[nH]c1=O)C1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C13H14F3N3O3/c14-13(15,16)12(22)19-6-3-8(4-7-19)10(20)18-9-2-1-5-17-11(9)21/h1-2,5,8H,3-4,6-7H2,(H,17,21)(H,18,20)
InChIKeyPUINSICMHUMTQL-UHFFFAOYSA-N
MW317.27 g/mol
LogP1.11
Rot. Bonds2

About N-(2-oxo-1H-pyridin-3-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide

N-(2-oxo-1H-pyridin-3-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (PubChem CID 110727141) has the molecular formula C13H14F3N3O3 and a molecular weight of 317.27 g/mol. Its IUPAC name is N-(2-oxo-1H-pyridin-3-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-oxo-1H-pyridin-3-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
PubChem CID110727141
Molecular FormulaC13H14F3N3O3
Molecular Weight317.27 g/mol
Exact Mass317.10
IUPAC NameN-(2-oxo-1H-pyridin-3-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc[nH]c1=O)C1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C13H14F3N3O3/c14-13(15,16)12(22)19-6-3-8(4-7-19)10(20)18-9-2-1-5-17-11(9)21/h1-2,5,8H,3-4,6-7H2,(H,17,21)(H,18,20)
InChIKeyPUINSICMHUMTQL-UHFFFAOYSA-N
XLogP1.11
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.27
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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
1-Methyl-3-(piperidin-4-ylmethylamino)pyridin-2-one
CID 171346454
N-(1-acetylpiperidin-4-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 45807140
N-(1-ethyl-6-oxo-3-pyridinyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 71849994
1-acetyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-4-carboxamide
CID 72050206
N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1-methyl-2-oxopiperidine-4-carboxamide
CID 146323232
N-(1-ethyl-6-oxo-3-pyridinyl)-4-(trifluoromethyl)piperidine-2-carboxamide
CID 146323243
N-(1-ethyl-6-oxo-3-pyridinyl)-5-(trifluoromethyl)piperidine-2-carboxamide
CID 146323245
N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-1-pentyl-4-(2-piperidin-4-ylethynyl)azetidine-2-carboxamide
CID 153398011
N-(1-ethyl-6-oxo-3-pyridinyl)-5-(trifluoromethyl)piperidine-2-carboxamide;molecular hydrogen
CID 153398173
3-(4,4-difluoropiperidin-1-yl)-1H-pyridin-2-one
CID 170791716

Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-1H-pyridin-3-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The IUPAC name of N-(2-oxo-1H-pyridin-3-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (CID 110727141) is N-(2-oxo-1H-pyridin-3-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-oxo-1H-pyridin-3-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-oxo-1H-pyridin-3-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is O=C(Nc1ccc[nH]c1=O)C1CCN(C(=O)C(F)(F)F)CC1.
What is the InChIKey of N-(2-oxo-1H-pyridin-3-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The InChIKey is PUINSICMHUMTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O3/c14-13(15,16)12(22)19-6-3-8(4-7-19)10(20)18-9-2-1-5-17-11(9)21/h1-2,5,8H,3-4,6-7H2,(H,17,21)(H,18,20).
What are the key properties of N-(2-oxo-1H-pyridin-3-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
N-(2-oxo-1H-pyridin-3-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide has a molecular weight of 317.27 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-1H-pyridin-3-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 110727141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).