2-ethoxy-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide

C15H21F3N4O2 — CID 91631476

IUPAC2-ethoxy-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide
SMILESCCOCC(=O)NC1CCN(c2cc(C(F)(F)F)nc(C)n2)CC1
InChIInChI=1S/C15H21F3N4O2/c1-3-24-9-14(23)21-11-4-6-22(7-5-11)13-8-12(15(16,17)18)19-10(2)20-13/h8,11H,3-7,9H2,1-2H3,(H,21,23)
InChIKeyPWKFKDDVPWODGL-UHFFFAOYSA-N
MW346.35 g/mol
LogP1.93
Rot. Bonds5

About 2-ethoxy-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide

2-ethoxy-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide (PubChem CID 91631476) has the molecular formula C15H21F3N4O2 and a molecular weight of 346.35 g/mol. Its IUPAC name is 2-ethoxy-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-ethoxy-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide
PubChem CID91631476
Molecular FormulaC15H21F3N4O2
Molecular Weight346.35 g/mol
Exact Mass346.16
IUPAC Name2-ethoxy-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide
SMILESCCOCC(=O)NC1CCN(c2cc(C(F)(F)F)nc(C)n2)CC1
InChIInChI=1S/C15H21F3N4O2/c1-3-24-9-14(23)21-11-4-6-22(7-5-11)13-8-12(15(16,17)18)19-10(2)20-13/h8,11H,3-7,9H2,1-2H3,(H,21,23)
InChIKeyPWKFKDDVPWODGL-UHFFFAOYSA-N
XLogP1.93
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide?
The IUPAC name of 2-ethoxy-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide (CID 91631476) is 2-ethoxy-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-ethoxy-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-ethoxy-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide is CCOCC(=O)NC1CCN(c2cc(C(F)(F)F)nc(C)n2)CC1.
What is the InChIKey of 2-ethoxy-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide?
The InChIKey is PWKFKDDVPWODGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N4O2/c1-3-24-9-14(23)21-11-4-6-22(7-5-11)13-8-12(15(16,17)18)19-10(2)20-13/h8,11H,3-7,9H2,1-2H3,(H,21,23).
What are the key properties of 2-ethoxy-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide?
2-ethoxy-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide has a molecular weight of 346.35 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide is sourced from PubChem (CID 91631476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).