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

C14H18F3N3O3 — CID 47491803

IUPAC4-ethoxy-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-1-carboxamide
SMILESCCOC1CCN(C(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)CC1
InChIInChI=1S/C14H18F3N3O3/c1-2-23-10-3-5-20(6-4-10)13(22)19-11-7-9(14(15,16)17)8-18-12(11)21/h7-8,10H,2-6H2,1H3,(H,18,21)(H,19,22)
InChIKeyTYRGYMATQOBVDU-UHFFFAOYSA-N
MW333.31 g/mol
LogP2.43
Rot. Bonds3

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

4-ethoxy-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-1-carboxamide (PubChem CID 47491803) has the molecular formula C14H18F3N3O3 and a molecular weight of 333.31 g/mol. Its IUPAC name is 4-ethoxy-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-ethoxy-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-1-carboxamide
PubChem CID47491803
Molecular FormulaC14H18F3N3O3
Molecular Weight333.31 g/mol
Exact Mass333.13
IUPAC Name4-ethoxy-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-1-carboxamide
SMILESCCOC1CCN(C(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)CC1
InChIInChI=1S/C14H18F3N3O3/c1-2-23-10-3-5-20(6-4-10)13(22)19-11-7-9(14(15,16)17)8-18-12(11)21/h7-8,10H,2-6H2,1H3,(H,18,21)(H,19,22)
InChIKeyTYRGYMATQOBVDU-UHFFFAOYSA-N
XLogP2.43
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-1-carboxamide?
The IUPAC name of 4-ethoxy-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-1-carboxamide (CID 47491803) is 4-ethoxy-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-1-carboxamide.
What is the SMILES notation for 4-ethoxy-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-1-carboxamide?
The canonical SMILES for 4-ethoxy-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-1-carboxamide is CCOC1CCN(C(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)CC1.
What is the InChIKey of 4-ethoxy-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-1-carboxamide?
The InChIKey is TYRGYMATQOBVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O3/c1-2-23-10-3-5-20(6-4-10)13(22)19-11-7-9(14(15,16)17)8-18-12(11)21/h7-8,10H,2-6H2,1H3,(H,18,21)(H,19,22).
What are the key properties of 4-ethoxy-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-1-carboxamide?
4-ethoxy-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-1-carboxamide has a molecular weight of 333.31 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 47491803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).