3-(2-oxopiperidin-1-yl)-N-[6-(trifluoromethyl)pyrazin-2-yl]butanamide

C14H17F3N4O2 — CID 167895810

IUPAC3-(2-oxopiperidin-1-yl)-N-[6-(trifluoromethyl)pyrazin-2-yl]butanamide
SMILESCC(CC(=O)Nc1cncc(C(F)(F)F)n1)N1CCCCC1=O
InChIInChI=1S/C14H17F3N4O2/c1-9(21-5-3-2-4-13(21)23)6-12(22)20-11-8-18-7-10(19-11)14(15,16)17/h7-9H,2-6H2,1H3,(H,19,20,22)
InChIKeyYQYNPIXRVRVDJZ-UHFFFAOYSA-N
MW330.31 g/mol
LogP2.22
Rot. Bonds4

About 3-(2-oxopiperidin-1-yl)-N-[6-(trifluoromethyl)pyrazin-2-yl]butanamide

3-(2-oxopiperidin-1-yl)-N-[6-(trifluoromethyl)pyrazin-2-yl]butanamide (PubChem CID 167895810) has the molecular formula C14H17F3N4O2 and a molecular weight of 330.31 g/mol. Its IUPAC name is 3-(2-oxopiperidin-1-yl)-N-[6-(trifluoromethyl)pyrazin-2-yl]butanamide.

Molecular Properties

Compound Name3-(2-oxopiperidin-1-yl)-N-[6-(trifluoromethyl)pyrazin-2-yl]butanamide
PubChem CID167895810
Molecular FormulaC14H17F3N4O2
Molecular Weight330.31 g/mol
Exact Mass330.13
IUPAC Name3-(2-oxopiperidin-1-yl)-N-[6-(trifluoromethyl)pyrazin-2-yl]butanamide
SMILESCC(CC(=O)Nc1cncc(C(F)(F)F)n1)N1CCCCC1=O
InChIInChI=1S/C14H17F3N4O2/c1-9(21-5-3-2-4-13(21)23)6-12(22)20-11-8-18-7-10(19-11)14(15,16)17/h7-9H,2-6H2,1H3,(H,19,20,22)
InChIKeyYQYNPIXRVRVDJZ-UHFFFAOYSA-N
XLogP2.22
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-oxopiperidin-1-yl)-N-[6-(trifluoromethyl)pyrazin-2-yl]butanamide?
The IUPAC name of 3-(2-oxopiperidin-1-yl)-N-[6-(trifluoromethyl)pyrazin-2-yl]butanamide (CID 167895810) is 3-(2-oxopiperidin-1-yl)-N-[6-(trifluoromethyl)pyrazin-2-yl]butanamide.
What is the SMILES notation for 3-(2-oxopiperidin-1-yl)-N-[6-(trifluoromethyl)pyrazin-2-yl]butanamide?
The canonical SMILES for 3-(2-oxopiperidin-1-yl)-N-[6-(trifluoromethyl)pyrazin-2-yl]butanamide is CC(CC(=O)Nc1cncc(C(F)(F)F)n1)N1CCCCC1=O.
What is the InChIKey of 3-(2-oxopiperidin-1-yl)-N-[6-(trifluoromethyl)pyrazin-2-yl]butanamide?
The InChIKey is YQYNPIXRVRVDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N4O2/c1-9(21-5-3-2-4-13(21)23)6-12(22)20-11-8-18-7-10(19-11)14(15,16)17/h7-9H,2-6H2,1H3,(H,19,20,22).
What are the key properties of 3-(2-oxopiperidin-1-yl)-N-[6-(trifluoromethyl)pyrazin-2-yl]butanamide?
3-(2-oxopiperidin-1-yl)-N-[6-(trifluoromethyl)pyrazin-2-yl]butanamide has a molecular weight of 330.31 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxopiperidin-1-yl)-N-[6-(trifluoromethyl)pyrazin-2-yl]butanamide is sourced from PubChem (CID 167895810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).