2-(4-oxopiperidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

C9H13F3N2O2 — CID 60641679

IUPAC2-(4-oxopiperidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C1CCN(CC(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C9H13F3N2O2/c10-9(11,12)6-13-8(16)5-14-3-1-7(15)2-4-14/h1-6H2,(H,13,16)
InChIKeyUEEUVKUSJAVZBA-UHFFFAOYSA-N
MW238.21 g/mol
LogP0.33
Rot. Bonds3

About 2-(4-oxopiperidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

2-(4-oxopiperidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 60641679) has the molecular formula C9H13F3N2O2 and a molecular weight of 238.21 g/mol. Its IUPAC name is 2-(4-oxopiperidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(4-oxopiperidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID60641679
Molecular FormulaC9H13F3N2O2
Molecular Weight238.21 g/mol
Exact Mass238.09
IUPAC Name2-(4-oxopiperidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C1CCN(CC(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C9H13F3N2O2/c10-9(11,12)6-13-8(16)5-14-3-1-7(15)2-4-14/h1-6H2,(H,13,16)
InChIKeyUEEUVKUSJAVZBA-UHFFFAOYSA-N
XLogP0.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.21
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-oxopiperidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(4-oxopiperidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 60641679) is 2-(4-oxopiperidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(4-oxopiperidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(4-oxopiperidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is O=C1CCN(CC(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 2-(4-oxopiperidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is UEEUVKUSJAVZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O2/c10-9(11,12)6-13-8(16)5-14-3-1-7(15)2-4-14/h1-6H2,(H,13,16).
What are the key properties of 2-(4-oxopiperidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(4-oxopiperidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 238.21 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxopiperidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 60641679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).