N-(1-ethylpiperidin-4-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

C15H20F3N3O2 — CID 36814044

IUPACN-(1-ethylpiperidin-4-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCCN1CCC(NC(=O)Cn2cc(C(F)(F)F)ccc2=O)CC1
InChIInChI=1S/C15H20F3N3O2/c1-2-20-7-5-12(6-8-20)19-13(22)10-21-9-11(15(16,17)18)3-4-14(21)23/h3-4,9,12H,2,5-8,10H2,1H3,(H,19,22)
InChIKeyVUULCHGZIVERMD-UHFFFAOYSA-N
MW331.34 g/mol
LogP1.47
Rot. Bonds4

About N-(1-ethylpiperidin-4-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

N-(1-ethylpiperidin-4-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 36814044) has the molecular formula C15H20F3N3O2 and a molecular weight of 331.34 g/mol. Its IUPAC name is N-(1-ethylpiperidin-4-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(1-ethylpiperidin-4-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID36814044
Molecular FormulaC15H20F3N3O2
Molecular Weight331.34 g/mol
Exact Mass331.15
IUPAC NameN-(1-ethylpiperidin-4-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCCN1CCC(NC(=O)Cn2cc(C(F)(F)F)ccc2=O)CC1
InChIInChI=1S/C15H20F3N3O2/c1-2-20-7-5-12(6-8-20)19-13(22)10-21-9-11(15(16,17)18)3-4-14(21)23/h3-4,9,12H,2,5-8,10H2,1H3,(H,19,22)
InChIKeyVUULCHGZIVERMD-UHFFFAOYSA-N
XLogP1.47
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-ethylpiperidin-4-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpiperidin-4-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-(1-ethylpiperidin-4-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (CID 36814044) is N-(1-ethylpiperidin-4-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-(1-ethylpiperidin-4-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-(1-ethylpiperidin-4-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is CCN1CCC(NC(=O)Cn2cc(C(F)(F)F)ccc2=O)CC1.
What is the InChIKey of N-(1-ethylpiperidin-4-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is VUULCHGZIVERMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O2/c1-2-20-7-5-12(6-8-20)19-13(22)10-21-9-11(15(16,17)18)3-4-14(21)23/h3-4,9,12H,2,5-8,10H2,1H3,(H,19,22).
What are the key properties of N-(1-ethylpiperidin-4-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
N-(1-ethylpiperidin-4-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 331.34 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpiperidin-4-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 36814044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).