4-methoxy-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-1-carboxamide

C13H16F3N3O3 — CID 47492314

IUPAC4-methoxy-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-1-carboxamide
SMILESCOC1CCN(C(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)CC1
InChIInChI=1S/C13H16F3N3O3/c1-22-9-2-4-19(5-3-9)12(21)18-10-6-8(13(14,15)16)7-17-11(10)20/h6-7,9H,2-5H2,1H3,(H,17,20)(H,18,21)
InChIKeyFFGKBEFFDMDCRR-UHFFFAOYSA-N
MW319.28 g/mol
LogP2.04
Rot. Bonds2

About 4-methoxy-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-1-carboxamide

4-methoxy-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-1-carboxamide (PubChem CID 47492314) has the molecular formula C13H16F3N3O3 and a molecular weight of 319.28 g/mol. Its IUPAC name is 4-methoxy-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-1-carboxamide
PubChem CID47492314
Molecular FormulaC13H16F3N3O3
Molecular Weight319.28 g/mol
Exact Mass319.11
IUPAC Name4-methoxy-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-1-carboxamide
SMILESCOC1CCN(C(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)CC1
InChIInChI=1S/C13H16F3N3O3/c1-22-9-2-4-19(5-3-9)12(21)18-10-6-8(13(14,15)16)7-17-11(10)20/h6-7,9H,2-5H2,1H3,(H,17,20)(H,18,21)
InChIKeyFFGKBEFFDMDCRR-UHFFFAOYSA-N
XLogP2.04
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.28
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-1-carboxamide?
The IUPAC name of 4-methoxy-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-1-carboxamide (CID 47492314) is 4-methoxy-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-1-carboxamide.
What is the SMILES notation for 4-methoxy-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-1-carboxamide?
The canonical SMILES for 4-methoxy-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-1-carboxamide is COC1CCN(C(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)CC1.
What is the InChIKey of 4-methoxy-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-1-carboxamide?
The InChIKey is FFGKBEFFDMDCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O3/c1-22-9-2-4-19(5-3-9)12(21)18-10-6-8(13(14,15)16)7-17-11(10)20/h6-7,9H,2-5H2,1H3,(H,17,20)(H,18,21).
What are the key properties of 4-methoxy-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-1-carboxamide?
4-methoxy-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-1-carboxamide has a molecular weight of 319.28 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 47492314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).