N-(6-oxo-1H-pyridin-3-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide

C13H14F3N3O3 — CID 110724919

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

About N-(6-oxo-1H-pyridin-3-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide

N-(6-oxo-1H-pyridin-3-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (PubChem CID 110724919) has the molecular formula C13H14F3N3O3 and a molecular weight of 317.27 g/mol. Its IUPAC name is N-(6-oxo-1H-pyridin-3-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(6-oxo-1H-pyridin-3-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
PubChem CID110724919
Molecular FormulaC13H14F3N3O3
Molecular Weight317.27 g/mol
Exact Mass317.10
IUPAC NameN-(6-oxo-1H-pyridin-3-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(=O)[nH]c1)C1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C13H14F3N3O3/c14-13(15,16)12(22)19-5-3-8(4-6-19)11(21)18-9-1-2-10(20)17-7-9/h1-2,7-8H,3-6H2,(H,17,20)(H,18,21)
InChIKeyVNDRLXAHVXDCLR-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-(6-oxo-1,6-dihydropyridine-3-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 49676921
N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-4-carboxamide
CID 72046372
1-acetyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-4-carboxamide
CID 72050206
4-Fluoro-1-(piperidin-4-ylmethyl)pyridin-2-one
CID 90038622
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
1-[(Piperidin-4-yl)methyl]-4-(trifluoromethyl)-1,2-dihydropyridin-2-one
CID 168030383
1-[2-[2-Oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-4-carboxamide
CID 31937890
3-[3-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 45842696
N-[2-(4-methylpiperidin-1-yl)propyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 47082080
1-(2-oxo-1H-pyridine-3-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 49722647
N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 52507071

Frequently Asked Questions

What is the IUPAC name of N-(6-oxo-1H-pyridin-3-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The IUPAC name of N-(6-oxo-1H-pyridin-3-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (CID 110724919) is N-(6-oxo-1H-pyridin-3-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(6-oxo-1H-pyridin-3-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-(6-oxo-1H-pyridin-3-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is O=C(Nc1ccc(=O)[nH]c1)C1CCN(C(=O)C(F)(F)F)CC1.
What is the InChIKey of N-(6-oxo-1H-pyridin-3-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The InChIKey is VNDRLXAHVXDCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O3/c14-13(15,16)12(22)19-5-3-8(4-6-19)11(21)18-9-1-2-10(20)17-7-9/h1-2,7-8H,3-6H2,(H,17,20)(H,18,21).
What are the key properties of N-(6-oxo-1H-pyridin-3-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
N-(6-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-(6-oxo-1H-pyridin-3-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 110724919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).