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

C15H20F3N5O2 — CID 91631455

IUPAC2-acetamido-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide
SMILESCC(=O)NCC(=O)NC1CCN(c2cc(C(F)(F)F)nc(C)n2)CC1
InChIInChI=1S/C15H20F3N5O2/c1-9-20-12(15(16,17)18)7-13(21-9)23-5-3-11(4-6-23)22-14(25)8-19-10(2)24/h7,11H,3-6,8H2,1-2H3,(H,19,24)(H,22,25)
InChIKeyJBFUADBINQWWBA-UHFFFAOYSA-N
MW359.35 g/mol
LogP1.02
Rot. Bonds4

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

2-acetamido-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide (PubChem CID 91631455) has the molecular formula C15H20F3N5O2 and a molecular weight of 359.35 g/mol. Its IUPAC name is 2-acetamido-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-acetamido-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide
PubChem CID91631455
Molecular FormulaC15H20F3N5O2
Molecular Weight359.35 g/mol
Exact Mass359.16
IUPAC Name2-acetamido-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide
SMILESCC(=O)NCC(=O)NC1CCN(c2cc(C(F)(F)F)nc(C)n2)CC1
InChIInChI=1S/C15H20F3N5O2/c1-9-20-12(15(16,17)18)7-13(21-9)23-5-3-11(4-6-23)22-14(25)8-19-10(2)24/h7,11H,3-6,8H2,1-2H3,(H,19,24)(H,22,25)
InChIKeyJBFUADBINQWWBA-UHFFFAOYSA-N
XLogP1.02
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide?
The IUPAC name of 2-acetamido-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide (CID 91631455) is 2-acetamido-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-acetamido-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-acetamido-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide is CC(=O)NCC(=O)NC1CCN(c2cc(C(F)(F)F)nc(C)n2)CC1.
What is the InChIKey of 2-acetamido-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide?
The InChIKey is JBFUADBINQWWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N5O2/c1-9-20-12(15(16,17)18)7-13(21-9)23-5-3-11(4-6-23)22-14(25)8-19-10(2)24/h7,11H,3-6,8H2,1-2H3,(H,19,24)(H,22,25).
What are the key properties of 2-acetamido-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide?
2-acetamido-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide has a molecular weight of 359.35 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide is sourced from PubChem (CID 91631455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).