N-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-2-(2-oxopiperazin-1-yl)acetamide

C13H15F3N4O2 — CID 90257375

IUPACN-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-2-(2-oxopiperazin-1-yl)acetamide
SMILESCc1nc(C(F)(F)F)ccc1NC(=O)CN1CCNCC1=O
InChIInChI=1S/C13H15F3N4O2/c1-8-9(2-3-10(18-8)13(14,15)16)19-11(21)7-20-5-4-17-6-12(20)22/h2-3,17H,4-7H2,1H3,(H,19,21)
InChIKeyRAPJNHXKOQEDQA-UHFFFAOYSA-N
MW316.28 g/mol
LogP0.78
Rot. Bonds3

About N-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-2-(2-oxopiperazin-1-yl)acetamide

N-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-2-(2-oxopiperazin-1-yl)acetamide (PubChem CID 90257375) has the molecular formula C13H15F3N4O2 and a molecular weight of 316.28 g/mol. Its IUPAC name is N-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-2-(2-oxopiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-2-(2-oxopiperazin-1-yl)acetamide
PubChem CID90257375
Molecular FormulaC13H15F3N4O2
Molecular Weight316.28 g/mol
Exact Mass316.11
IUPAC NameN-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-2-(2-oxopiperazin-1-yl)acetamide
SMILESCc1nc(C(F)(F)F)ccc1NC(=O)CN1CCNCC1=O
InChIInChI=1S/C13H15F3N4O2/c1-8-9(2-3-10(18-8)13(14,15)16)19-11(21)7-20-5-4-17-6-12(20)22/h2-3,17H,4-7H2,1H3,(H,19,21)
InChIKeyRAPJNHXKOQEDQA-UHFFFAOYSA-N
XLogP0.78
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.28
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-2-(2-oxopiperazin-1-yl)acetamide?
The IUPAC name of N-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-2-(2-oxopiperazin-1-yl)acetamide (CID 90257375) is N-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-2-(2-oxopiperazin-1-yl)acetamide.
What is the SMILES notation for N-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-2-(2-oxopiperazin-1-yl)acetamide?
The canonical SMILES for N-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-2-(2-oxopiperazin-1-yl)acetamide is Cc1nc(C(F)(F)F)ccc1NC(=O)CN1CCNCC1=O.
What is the InChIKey of N-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-2-(2-oxopiperazin-1-yl)acetamide?
The InChIKey is RAPJNHXKOQEDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4O2/c1-8-9(2-3-10(18-8)13(14,15)16)19-11(21)7-20-5-4-17-6-12(20)22/h2-3,17H,4-7H2,1H3,(H,19,21).
What are the key properties of N-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-2-(2-oxopiperazin-1-yl)acetamide?
N-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-2-(2-oxopiperazin-1-yl)acetamide has a molecular weight of 316.28 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-2-(2-oxopiperazin-1-yl)acetamide is sourced from PubChem (CID 90257375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).